File: AlaDipeptide.MEOH.parm7

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
links: PTS, VCS
area: main
in suites: sid, trixie
size: 138,900 kB
sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (4513 lines) | stat: -rw-r--r-- 363,713 bytes
%VERSION  VERSION_STAMP = V0001.000  DATE = 09/19/17  14:49:29                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ACE                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
    1576       9    1048     268    1838      11     820      24       0       0
    4243     262     268      11      24      13      23      21      10       0
       0       0       0       0       0       0       0       1      10       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
H1  CH3 H2  H3  C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CH3 HH31
HH32HH33HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 
O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  
HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 HC1 C1  HC2 HC3 O1  HO1 
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
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  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01
 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00  6.77869560E-01
  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01  2.12472018E+00
  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00  6.77869560E-01
  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01  7.68069945E+00
  6.77869560E-01  2.12472018E+00  6.77869560E-01  6.77869560E-01 -1.18390283E+01
  7.68069945E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       1       6       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       1       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1       1       6       1       1
       8       1       1       6       1       1       8       1       1       6
       1       1       8       1       1       6       1       1       8       1
       1       6       1       1       8       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  1.20000000E+01  1.00000000E+00  1.00000000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20000000E+01  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
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  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00
  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00  1.20000000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00  1.00800000E+00
  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00000000E+00
  1.00800000E+00  1.20000000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
  1.00000000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       7       7       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9       7       2       7       7
       8       9       7       2       7       7       8       9       7       2
       7       7       8       9       7       2       7       7       8       9
       7       2       7       7       8       9
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       6       7       4       3       7       3      10       4      10       7
       6       3       2       1       7       3       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1       5       4       3       2
       1       1       5       4       3       2       1       1       5       4
       3       2       1       1       5       4       3       2       1       1
       5       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37       2
       3       5       8      12      17      23      30      38       4       5
       6       9      13      18      24      31      39       7       8       9
      10      14      19      25      32      40      11      12      13      14
      15      20      26      33      41      16      17      18      19      20
      21      27      34      42      22      23      24      25      26      27
      28      35      43      29      30      31      32      33      34      35
      36      44      37      38      39      40      41      42      43      44
      45
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
ACE ALA NME MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH MOH 
MOH MOH 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1       7      17      23      29      35      41      47      53      59
      65      71      77      83      89      95     101     107     113     119
     125     131     137     143     149     155     161     167     173     179
     185     191     197     203     209     215     221     227     233     239
     245     251     257     263     269     275     281     287     293     299
     305     311     317     323     329     335     341     347     353     359
     365     371     377     383     389     395     401     407     413     419
     425     431     437     443     449     455     461     467     473     479
     485     491     497     503     509     515     521     527     533     539
     545     551     557     563     569     575     581     587     593     599
     605     611     617     623     629     635     641     647     653     659
     665     671     677     683     689     695     701     707     713     719
     725     731     737     743     749     755     761     767     773     779
     785     791     797     803     809     815     821     827     833     839
     845     851     857     863     869     875     881     887     893     899
     905     911     917     923     929     935     941     947     953     959
     965     971     977     983     989     995    1001    1007    1013    1019
    1025    1031    1037    1043    1049    1055    1061    1067    1073    1079
    1085    1091    1097    1103    1109    1115    1121    1127    1133    1139
    1145    1151    1157    1163    1169    1175    1181    1187    1193    1199
    1205    1211    1217    1223    1229    1235    1241    1247    1253    1259
    1265    1271    1277    1283    1289    1295    1301    1307    1313    1319
    1325    1331    1337    1343    1349    1355    1361    1367    1373    1379
    1385    1391    1397    1403    1409    1415    1421    1427    1433    1439
    1445    1451    1457    1463    1469    1475    1481    1487    1493    1499
    1505    1511    1517    1523    1529    1535    1541    1547    1553    1559
    1565    1571
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.17000000E+02  3.40000000E+02
  3.10000000E+02  3.17000000E+02  4.34000000E+02  3.37000000E+02  3.40000000E+02
  3.37000000E+02  3.20000000E+02  5.53000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.52200000E+00  1.09000000E+00
  1.52600000E+00  1.52200000E+00  1.01000000E+00  1.44900000E+00  1.09000000E+00
  1.44900000E+00  1.41000000E+00  9.60000000E-01
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01
  8.00000000E+01  7.00000000E+01  5.00000000E+01  6.30000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  8.00000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  8.00000000E+01  6.30000000E+01  3.50000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.50000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.91113635E+00
  2.10137732E+00  2.03505478E+00  2.12755727E+00  1.93906163E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  2.10137732E+00  2.03505478E+00  2.06018753E+00
  1.91113635E+00  1.91462701E+00  1.92160833E+00  1.91113635E+00  2.06018753E+00
  1.91113635E+00  1.91113635E+00  1.89368305E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  1.80000000E+00  8.00000000E-01
  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  8.00000000E-01
  8.00000000E-02  1.55555556E-01  2.00000000E-01  2.00000000E-01  4.00000000E-01
  4.50000000E-01  1.58000000E+00  5.50000000E-01  1.66666667E-01  1.05000000E+01
  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00
  3.00000000E+00  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00
  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  2.85534434E+03  6.39703574E+04  1.04308023E+06  5.67177954E+04  9.24822270E+05
  8.19971662E+05  3.47177515E+04  6.47841731E+05  5.74393458E+05  3.79876399E+05
  5.84383816E+04  9.95480466E+05  8.82619071E+05  6.06829342E+05  9.44293233E+05
  5.47111051E+01  2.56678134E+03  2.27577561E+03  1.02595236E+03  2.12601181E+03
  1.39982777E-01  3.05106823E+03  6.78771368E+04  6.01816484E+04  3.69471530E+04
  6.20665997E+04  5.94667300E+01  3.25969625E+03  4.39081823E+04  7.91544157E+05
  7.01803794E+05  4.71003287E+05  7.44975864E+05  1.40467023E+03  4.66922514E+04
  5.81803229E+05  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.30889519E+01  1.01811428E+02  6.75612247E+02  9.02686805E+01  5.99015525E+02
  5.31102864E+02  8.82842901E+01  6.26720080E+02  5.55666448E+02  5.64885984E+02
  1.08646097E+02  7.36907417E+02  6.53361429E+02  6.77220874E+02  8.01323529E+02
  1.83259065E+00  2.06278363E+01  1.82891803E+01  1.53505284E+01  2.09604198E+01
  9.37598976E-02  1.36852799E+01  1.06076943E+02  9.40505980E+01  9.21192136E+01
  1.13252061E+02  1.93248820E+00  1.43076527E+01  9.93314954E+01  6.93079947E+02
  6.14502845E+02  6.29300710E+02  7.50714425E+02  1.79702257E+01  1.03606917E+02
  6.99746810E+02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       3       6       3       3       9       3       0       3       3      30
      33       3      30      36       3      30      39       3      24      27
       5      18      21       8      54      57      10      54      60      10
      54      63      10      48      51       8      69      66      10      72
      69      10      75      69      10      81      78      13      87      84
      10      90      87      10      93      87      10      99      96      13
     105     102      10     108     105      10     111     105      10     117
     114      13     123     120      10     126     123      10     129     123
      10     135     132      13     141     138      10     144     141      10
     147     141      10     153     150      13     159     156      10     162
     159      10     165     159      10     171     168      13     177     174
      10     180     177      10     183     177      10     189     186      13
     195     192      10     198     195      10     201     195      10     207
     204      13     213     210      10     216     213      10     219     213
      10     225     222      13     231     228      10     234     231      10
     237     231      10     243     240      13     249     246      10     252
     249      10     255     249      10     261     258      13     267     264
      10     270     267      10     273     267      10     279     276      13
     285     282      10     288     285      10     291     285      10     297
     294      13     303     300      10     306     303      10     309     303
      10     315     312      13     321     318      10     324     321      10
     327     321      10     333     330      13     339     336      10     342
     339      10     345     339      10     351     348      13     357     354
      10     360     357      10     363     357      10     369     366      13
     375     372      10     378     375      10     381     375      10     387
     384      13     393     390      10     396     393      10     399     393
      10     405     402      13     411     408      10     414     411      10
     417     411      10     423     420      13     429     426      10     432
     429      10     435     429      10     441     438      13     447     444
      10     450     447      10     453     447      10     459     456      13
     465     462      10     468     465      10     471     465      10     477
     474      13     483     480      10     486     483      10     489     483
      10     495     492      13     501     498      10     504     501      10
     507     501      10     513     510      13     519     516      10     522
     519      10     525     519      10     531     528      13     537     534
      10     540     537      10     543     537      10     549     546      13
     555     552      10     558     555      10     561     555      10     567
     564      13     573     570      10     576     573      10     579     573
      10     585     582      13     591     588      10     594     591      10
     597     591      10     603     600      13     609     606      10     612
     609      10     615     609      10     621     618      13     627     624
      10     630     627      10     633     627      10     639     636      13
     645     642      10     648     645      10     651     645      10     657
     654      13     663     660      10     666     663      10     669     663
      10     675     672      13     681     678      10     684     681      10
     687     681      10     693     690      13     699     696      10     702
     699      10     705     699      10     711     708      13     717     714
      10     720     717      10     723     717      10     729     726      13
     735     732      10     738     735      10     741     735      10     747
     744      13     753     750      10     756     753      10     759     753
      10     765     762      13     771     768      10     774     771      10
     777     771      10     783     780      13     789     786      10     792
     789      10     795     789      10     801     798      13     807     804
      10     810     807      10     813     807      10     819     816      13
     825     822      10     828     825      10     831     825      10     837
     834      13     843     840      10     846     843      10     849     843
      10     855     852      13     861     858      10     864     861      10
     867     861      10     873     870      13     879     876      10     882
     879      10     885     879      10     891     888      13     897     894
      10     900     897      10     903     897      10     909     906      13
     915     912      10     918     915      10     921     915      10     927
     924      13     933     930      10     936     933      10     939     933
      10     945     942      13     951     948      10     954     951      10
     957     951      10     963     960      13     969     966      10     972
     969      10     975     969      10     981     978      13     987     984
      10     990     987      10     993     987      10     999     996      13
    1005    1002      10    1008    1005      10    1011    1005      10    1017
    1014      13    1023    1020      10    1026    1023      10    1029    1023
      10    1035    1032      13    1041    1038      10    1044    1041      10
    1047    1041      10    1053    1050      13    1059    1056      10    1062
    1059      10    1065    1059      10    1071    1068      13    1077    1074
      10    1080    1077      10    1083    1077      10    1089    1086      13
    1095    1092      10    1098    1095      10    1101    1095      10    1107
    1104      13    1113    1110      10    1116    1113      10    1119    1113
      10    1125    1122      13    1131    1128      10    1134    1131      10
    1137    1131      10    1143    1140      13    1149    1146      10    1152
    1149      10    1155    1149      10    1161    1158      13    1167    1164
      10    1170    1167      10    1173    1167      10    1179    1176      13
    1185    1182      10    1188    1185      10    1191    1185      10    1197
    1194      13    1203    1200      10    1206    1203      10    1209    1203
      10    1215    1212      13    1221    1218      10    1224    1221      10
    1227    1221      10    1233    1230      13    1239    1236      10    1242
    1239      10    1245    1239      10    1251    1248      13    1257    1254
      10    1260    1257      10    1263    1257      10    1269    1266      13
    1275    1272      10    1278    1275      10    1281    1275      10    1287
    1284      13    1293    1290      10    1296    1293      10    1299    1293
      10    1305    1302      13    1311    1308      10    1314    1311      10
    1317    1311      10    1323    1320      13    1329    1326      10    1332
    1329      10    1335    1329      10    1341    1338      13    1347    1344
      10    1350    1347      10    1353    1347      10    1359    1356      13
    1365    1362      10    1368    1365      10    1371    1365      10    1377
    1374      13    1383    1380      10    1386    1383      10    1389    1383
      10    1395    1392      13    1401    1398      10    1404    1401      10
    1407    1401      10    1413    1410      13    1419    1416      10    1422
    1419      10    1425    1419      10    1431    1428      13    1437    1434
      10    1440    1437      10    1443    1437      10    1449    1446      13
    1455    1452      10    1458    1455      10    1461    1455      10    1467
    1464      13    1473    1470      10    1476    1473      10    1479    1473
      10    1485    1482      13    1491    1488      10    1494    1491      10
    1497    1491      10    1503    1500      13    1509    1506      10    1512
    1509      10    1515    1509      10    1521    1518      13    1527    1524
      10    1530    1527      10    1533    1527      10    1539    1536      13
    1545    1542      10    1548    1545      10    1551    1545      10    1557
    1554      13    1563    1560      10    1566    1563      10    1569    1563
      10    1575    1572      13    1581    1578      10    1584    1581      10
    1587    1581      10    1593    1590      13    1599    1596      10    1602
    1599      10    1605    1599      10    1611    1608      13    1617    1614
      10    1620    1617      10    1623    1617      10    1629    1626      13
    1635    1632      10    1638    1635      10    1641    1635      10    1647
    1644      13    1653    1650      10    1656    1653      10    1659    1653
      10    1665    1662      13    1671    1668      10    1674    1671      10
    1677    1671      10    1683    1680      13    1689    1686      10    1692
    1689      10    1695    1689      10    1701    1698      13    1707    1704
      10    1710    1707      10    1713    1707      10    1719    1716      13
    1725    1722      10    1728    1725      10    1731    1725      10    1737
    1734      13    1743    1740      10    1746    1743      10    1749    1743
      10    1755    1752      13    1761    1758      10    1764    1761      10
    1767    1761      10    1773    1770      13    1779    1776      10    1782
    1779      10    1785    1779      10    1791    1788      13    1797    1794
      10    1800    1797      10    1803    1797      10    1809    1806      13
    1815    1812      10    1818    1815      10    1821    1815      10    1827
    1824      13    1833    1830      10    1836    1833      10    1839    1833
      10    1845    1842      13    1851    1848      10    1854    1851      10
    1857    1851      10    1863    1860      13    1869    1866      10    1872
    1869      10    1875    1869      10    1881    1878      13    1887    1884
      10    1890    1887      10    1893    1887      10    1899    1896      13
    1905    1902      10    1908    1905      10    1911    1905      10    1917
    1914      13    1923    1920      10    1926    1923      10    1929    1923
      10    1935    1932      13    1941    1938      10    1944    1941      10
    1947    1941      10    1953    1950      13    1959    1956      10    1962
    1959      10    1965    1959      10    1971    1968      13    1977    1974
      10    1980    1977      10    1983    1977      10    1989    1986      13
    1995    1992      10    1998    1995      10    2001    1995      10    2007
    2004      13    2013    2010      10    2016    2013      10    2019    2013
      10    2025    2022      13    2031    2028      10    2034    2031      10
    2037    2031      10    2043    2040      13    2049    2046      10    2052
    2049      10    2055    2049      10    2061    2058      13    2067    2064
      10    2070    2067      10    2073    2067      10    2079    2076      13
    2085    2082      10    2088    2085      10    2091    2085      10    2097
    2094      13    2103    2100      10    2106    2103      10    2109    2103
      10    2115    2112      13    2121    2118      10    2124    2121      10
    2127    2121      10    2133    2130      13    2139    2136      10    2142
    2139      10    2145    2139      10    2151    2148      13    2157    2154
      10    2160    2157      10    2163    2157      10    2169    2166      13
    2175    2172      10    2178    2175      10    2181    2175      10    2187
    2184      13    2193    2190      10    2196    2193      10    2199    2193
      10    2205    2202      13    2211    2208      10    2214    2211      10
    2217    2211      10    2223    2220      13    2229    2226      10    2232
    2229      10    2235    2229      10    2241    2238      13    2247    2244
      10    2250    2247      10    2253    2247      10    2259    2256      13
    2265    2262      10    2268    2265      10    2271    2265      10    2277
    2274      13    2283    2280      10    2286    2283      10    2289    2283
      10    2295    2292      13    2301    2298      10    2304    2301      10
    2307    2301      10    2313    2310      13    2319    2316      10    2322
    2319      10    2325    2319      10    2331    2328      13    2337    2334
      10    2340    2337      10    2343    2337      10    2349    2346      13
    2355    2352      10    2358    2355      10    2361    2355      10    2367
    2364      13    2373    2370      10    2376    2373      10    2379    2373
      10    2385    2382      13    2391    2388      10    2394    2391      10
    2397    2391      10    2403    2400      13    2409    2406      10    2412
    2409      10    2415    2409      10    2421    2418      13    2427    2424
      10    2430    2427      10    2433    2427      10    2439    2436      13
    2445    2442      10    2448    2445      10    2451    2445      10    2457
    2454      13    2463    2460      10    2466    2463      10    2469    2463
      10    2475    2472      13    2481    2478      10    2484    2481      10
    2487    2481      10    2493    2490      13    2499    2496      10    2502
    2499      10    2505    2499      10    2511    2508      13    2517    2514
      10    2520    2517      10    2523    2517      10    2529    2526      13
    2535    2532      10    2538    2535      10    2541    2535      10    2547
    2544      13    2553    2550      10    2556    2553      10    2559    2553
      10    2565    2562      13    2571    2568      10    2574    2571      10
    2577    2571      10    2583    2580      13    2589    2586      10    2592
    2589      10    2595    2589      10    2601    2598      13    2607    2604
      10    2610    2607      10    2613    2607      10    2619    2616      13
    2625    2622      10    2628    2625      10    2631    2625      10    2637
    2634      13    2643    2640      10    2646    2643      10    2649    2643
      10    2655    2652      13    2661    2658      10    2664    2661      10
    2667    2661      10    2673    2670      13    2679    2676      10    2682
    2679      10    2685    2679      10    2691    2688      13    2697    2694
      10    2700    2697      10    2703    2697      10    2709    2706      13
    2715    2712      10    2718    2715      10    2721    2715      10    2727
    2724      13    2733    2730      10    2736    2733      10    2739    2733
      10    2745    2742      13    2751    2748      10    2754    2751      10
    2757    2751      10    2763    2760      13    2769    2766      10    2772
    2769      10    2775    2769      10    2781    2778      13    2787    2784
      10    2790    2787      10    2793    2787      10    2799    2796      13
    2805    2802      10    2808    2805      10    2811    2805      10    2817
    2814      13    2823    2820      10    2826    2823      10    2829    2823
      10    2835    2832      13    2841    2838      10    2844    2841      10
    2847    2841      10    2853    2850      13    2859    2856      10    2862
    2859      10    2865    2859      10    2871    2868      13    2877    2874
      10    2880    2877      10    2883    2877      10    2889    2886      13
    2895    2892      10    2898    2895      10    2901    2895      10    2907
    2904      13    2913    2910      10    2916    2913      10    2919    2913
      10    2925    2922      13    2931    2928      10    2934    2931      10
    2937    2931      10    2943    2940      13    2949    2946      10    2952
    2949      10    2955    2949      10    2961    2958      13    2967    2964
      10    2970    2967      10    2973    2967      10    2979    2976      13
    2985    2982      10    2988    2985      10    2991    2985      10    2997
    2994      13    3003    3000      10    3006    3003      10    3009    3003
      10    3015    3012      13    3021    3018      10    3024    3021      10
    3027    3021      10    3033    3030      13    3039    3036      10    3042
    3039      10    3045    3039      10    3051    3048      13    3057    3054
      10    3060    3057      10    3063    3057      10    3069    3066      13
    3075    3072      10    3078    3075      10    3081    3075      10    3087
    3084      13    3093    3090      10    3096    3093      10    3099    3093
      10    3105    3102      13    3111    3108      10    3114    3111      10
    3117    3111      10    3123    3120      13    3129    3126      10    3132
    3129      10    3135    3129      10    3141    3138      13    3147    3144
      10    3150    3147      10    3153    3147      10    3159    3156      13
    3165    3162      10    3168    3165      10    3171    3165      10    3177
    3174      13    3183    3180      10    3186    3183      10    3189    3183
      10    3195    3192      13    3201    3198      10    3204    3201      10
    3207    3201      10    3213    3210      13    3219    3216      10    3222
    3219      10    3225    3219      10    3231    3228      13    3237    3234
      10    3240    3237      10    3243    3237      10    3249    3246      13
    3255    3252      10    3258    3255      10    3261    3255      10    3267
    3264      13    3273    3270      10    3276    3273      10    3279    3273
      10    3285    3282      13    3291    3288      10    3294    3291      10
    3297    3291      10    3303    3300      13    3309    3306      10    3312
    3309      10    3315    3309      10    3321    3318      13    3327    3324
      10    3330    3327      10    3333    3327      10    3339    3336      13
    3345    3342      10    3348    3345      10    3351    3345      10    3357
    3354      13    3363    3360      10    3366    3363      10    3369    3363
      10    3375    3372      13    3381    3378      10    3384    3381      10
    3387    3381      10    3393    3390      13    3399    3396      10    3402
    3399      10    3405    3399      10    3411    3408      13    3417    3414
      10    3420    3417      10    3423    3417      10    3429    3426      13
    3435    3432      10    3438    3435      10    3441    3435      10    3447
    3444      13    3453    3450      10    3456    3453      10    3459    3453
      10    3465    3462      13    3471    3468      10    3474    3471      10
    3477    3471      10    3483    3480      13    3489    3486      10    3492
    3489      10    3495    3489      10    3501    3498      13    3507    3504
      10    3510    3507      10    3513    3507      10    3519    3516      13
    3525    3522      10    3528    3525      10    3531    3525      10    3537
    3534      13    3543    3540      10    3546    3543      10    3549    3543
      10    3555    3552      13    3561    3558      10    3564    3561      10
    3567    3561      10    3573    3570      13    3579    3576      10    3582
    3579      10    3585    3579      10    3591    3588      13    3597    3594
      10    3600    3597      10    3603    3597      10    3609    3606      13
    3615    3612      10    3618    3615      10    3621    3615      10    3627
    3624      13    3633    3630      10    3636    3633      10    3639    3633
      10    3645    3642      13    3651    3648      10    3654    3651      10
    3657    3651      10    3663    3660      13    3669    3666      10    3672
    3669      10    3675    3669      10    3681    3678      13    3687    3684
      10    3690    3687      10    3693    3687      10    3699    3696      13
    3705    3702      10    3708    3705      10    3711    3705      10    3717
    3714      13    3723    3720      10    3726    3723      10    3729    3723
      10    3735    3732      13    3741    3738      10    3744    3741      10
    3747    3741      10    3753    3750      13    3759    3756      10    3762
    3759      10    3765    3759      10    3771    3768      13    3777    3774
      10    3780    3777      10    3783    3777      10    3789    3786      13
    3795    3792      10    3798    3795      10    3801    3795      10    3807
    3804      13    3813    3810      10    3816    3813      10    3819    3813
      10    3825    3822      13    3831    3828      10    3834    3831      10
    3837    3831      10    3843    3840      13    3849    3846      10    3852
    3849      10    3855    3849      10    3861    3858      13    3867    3864
      10    3870    3867      10    3873    3867      10    3879    3876      13
    3885    3882      10    3888    3885      10    3891    3885      10    3897
    3894      13    3903    3900      10    3906    3903      10    3909    3903
      10    3915    3912      13    3921    3918      10    3924    3921      10
    3927    3921      10    3933    3930      13    3939    3936      10    3942
    3939      10    3945    3939      10    3951    3948      13    3957    3954
      10    3960    3957      10    3963    3957      10    3969    3966      13
    3975    3972      10    3978    3975      10    3981    3975      10    3987
    3984      13    3993    3990      10    3996    3993      10    3999    3993
      10    4005    4002      13    4011    4008      10    4014    4011      10
    4017    4011      10    4023    4020      13    4029    4026      10    4032
    4029      10    4035    4029      10    4041    4038      13    4047    4044
      10    4050    4047      10    4053    4047      10    4059    4056      13
    4065    4062      10    4068    4065      10    4071    4065      10    4077
    4074      13    4083    4080      10    4086    4083      10    4089    4083
      10    4095    4092      13    4101    4098      10    4104    4101      10
    4107    4101      10    4113    4110      13    4119    4116      10    4122
    4119      10    4125    4119      10    4131    4128      13    4137    4134
      10    4140    4137      10    4143    4137      10    4149    4146      13
    4155    4152      10    4158    4155      10    4161    4155      10    4167
    4164      13    4173    4170      10    4176    4173      10    4179    4173
      10    4185    4182      13    4191    4188      10    4194    4191      10
    4197    4191      10    4203    4200      13    4209    4206      10    4212
    4209      10    4215    4209      10    4221    4218      13    4227    4224
      10    4230    4227      10    4233    4227      10    4239    4236      13
    4245    4242      10    4248    4245      10    4251    4245      10    4257
    4254      13    4263    4260      10    4266    4263      10    4269    4263
      10    4275    4272      13    4281    4278      10    4284    4281      10
    4287    4281      10    4293    4290      13    4299    4296      10    4302
    4299      10    4305    4299      10    4311    4308      13    4317    4314
      10    4320    4317      10    4323    4317      10    4329    4326      13
    4335    4332      10    4338    4335      10    4341    4335      10    4347
    4344      13    4353    4350      10    4356    4353      10    4359    4353
      10    4365    4362      13    4371    4368      10    4374    4371      10
    4377    4371      10    4383    4380      13    4389    4386      10    4392
    4389      10    4395    4389      10    4401    4398      13    4407    4404
      10    4410    4407      10    4413    4407      10    4419    4416      13
    4425    4422      10    4428    4425      10    4431    4425      10    4437
    4434      13    4443    4440      10    4446    4443      10    4449    4443
      10    4455    4452      13    4461    4458      10    4464    4461      10
    4467    4461      10    4473    4470      13    4479    4476      10    4482
    4479      10    4485    4479      10    4491    4488      13    4497    4494
      10    4500    4497      10    4503    4497      10    4509    4506      13
    4515    4512      10    4518    4515      10    4521    4515      10    4527
    4524      13    4533    4530      10    4536    4533      10    4539    4533
      10    4545    4542      13    4551    4548      10    4554    4551      10
    4557    4551      10    4563    4560      13    4569    4566      10    4572
    4569      10    4575    4569      10    4581    4578      13    4587    4584
      10    4590    4587      10    4593    4587      10    4599    4596      13
    4605    4602      10    4608    4605      10    4611    4605      10    4617
    4614      13    4623    4620      10    4626    4623      10    4629    4623
      10    4635    4632      13    4641    4638      10    4644    4641      10
    4647    4641      10    4653    4650      13    4659    4656      10    4662
    4659      10    4665    4659      10    4671    4668      13    4677    4674
      10    4680    4677      10    4683    4677      10    4689    4686      13
    4695    4692      10    4698    4695      10    4701    4695      10    4707
    4704      13    4713    4710      10    4716    4713      10    4719    4713
      10    4725    4722      13
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      12      15       1      12      18       2       3      12       4      42
      45       1      42      48       2      24      30       6      24      42
       7      18      24       9      48      54      11      78      69      12
      96      87      12     114     105      12     132     123      12     150
     141      12     168     159      12     186     177      12     204     195
      12     222     213      12     240     231      12     258     249      12
     276     267      12     294     285      12     312     303      12     330
     321      12     348     339      12     366     357      12     384     375
      12     402     393      12     420     411      12     438     429      12
     456     447      12     474     465      12     492     483      12     510
     501      12     528     519      12     546     537      12     564     555
      12     582     573      12     600     591      12     618     609      12
     636     627      12     654     645      12     672     663      12     690
     681      12     708     699      12     726     717      12     744     735
      12     762     753      12     780     771      12     798     789      12
     816     807      12     834     825      12     852     843      12     870
     861      12     888     879      12     906     897      12     924     915
      12     942     933      12     960     951      12     978     969      12
     996     987      12    1014    1005      12    1032    1023      12    1050
    1041      12    1068    1059      12    1086    1077      12    1104    1095
      12    1122    1113      12    1140    1131      12    1158    1149      12
    1176    1167      12    1194    1185      12    1212    1203      12    1230
    1221      12    1248    1239      12    1266    1257      12    1284    1275
      12    1302    1293      12    1320    1311      12    1338    1329      12
    1356    1347      12    1374    1365      12    1392    1383      12    1410
    1401      12    1428    1419      12    1446    1437      12    1464    1455
      12    1482    1473      12    1500    1491      12    1518    1509      12
    1536    1527      12    1554    1545      12    1572    1563      12    1590
    1581      12    1608    1599      12    1626    1617      12    1644    1635
      12    1662    1653      12    1680    1671      12    1698    1689      12
    1716    1707      12    1734    1725      12    1752    1743      12    1770
    1761      12    1788    1779      12    1806    1797      12    1824    1815
      12    1842    1833      12    1860    1851      12    1878    1869      12
    1896    1887      12    1914    1905      12    1932    1923      12    1950
    1941      12    1968    1959      12    1986    1977      12    2004    1995
      12    2022    2013      12    2040    2031      12    2058    2049      12
    2076    2067      12    2094    2085      12    2112    2103      12    2130
    2121      12    2148    2139      12    2166    2157      12    2184    2175
      12    2202    2193      12    2220    2211      12    2238    2229      12
    2256    2247      12    2274    2265      12    2292    2283      12    2310
    2301      12    2328    2319      12    2346    2337      12    2364    2355
      12    2382    2373      12    2400    2391      12    2418    2409      12
    2436    2427      12    2454    2445      12    2472    2463      12    2490
    2481      12    2508    2499      12    2526    2517      12    2544    2535
      12    2562    2553      12    2580    2571      12    2598    2589      12
    2616    2607      12    2634    2625      12    2652    2643      12    2670
    2661      12    2688    2679      12    2706    2697      12    2724    2715
      12    2742    2733      12    2760    2751      12    2778    2769      12
    2796    2787      12    2814    2805      12    2832    2823      12    2850
    2841      12    2868    2859      12    2886    2877      12    2904    2895
      12    2922    2913      12    2940    2931      12    2958    2949      12
    2976    2967      12    2994    2985      12    3012    3003      12    3030
    3021      12    3048    3039      12    3066    3057      12    3084    3075
      12    3102    3093      12    3120    3111      12    3138    3129      12
    3156    3147      12    3174    3165      12    3192    3183      12    3210
    3201      12    3228    3219      12    3246    3237      12    3264    3255
      12    3282    3273      12    3300    3291      12    3318    3309      12
    3336    3327      12    3354    3345      12    3372    3363      12    3390
    3381      12    3408    3399      12    3426    3417      12    3444    3435
      12    3462    3453      12    3480    3471      12    3498    3489      12
    3516    3507      12    3534    3525      12    3552    3543      12    3570
    3561      12    3588    3579      12    3606    3597      12    3624    3615
      12    3642    3633      12    3660    3651      12    3678    3669      12
    3696    3687      12    3714    3705      12    3732    3723      12    3750
    3741      12    3768    3759      12    3786    3777      12    3804    3795
      12    3822    3813      12    3840    3831      12    3858    3849      12
    3876    3867      12    3894    3885      12    3912    3903      12    3930
    3921      12    3948    3939      12    3966    3957      12    3984    3975
      12    4002    3993      12    4020    4011      12    4038    4029      12
    4056    4047      12    4074    4065      12    4092    4083      12    4110
    4101      12    4128    4119      12    4146    4137      12    4164    4155
      12    4182    4173      12    4200    4191      12    4218    4209      12
    4236    4227      12    4254    4245      12    4272    4263      12    4290
    4281      12    4308    4299      12    4326    4317      12    4344    4335
      12    4362    4353      12    4380    4371      12    4398    4389      12
    4416    4407      12    4434    4425      12    4452    4443      12    4470
    4461      12    4488    4479      12    4506    4497      12    4524    4515
      12    4542    4533      12    4560    4551      12    4578    4569      12
    4596    4587      12    4614    4605      12    4632    4623      12    4650
    4641      12    4668    4659      12    4686    4677      12    4704    4695
      12    4722    4713      12
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      12      18      21       2       9       3      12       4       6       3
       9       5       6       3      12       4       0       3       6       5
       0       3       9       5       0       3      12       4      42      48
      51       2      36      30      39       5      33      30      36       5
      33      30      39       5      27      24      30      10      27      24
      42      11      24      30      33      12      24      30      36      12
      24      30      39      12      21      18      24      15      18      24
      27      16      60      54      63      19      57      54      60      19
      57      54      63      19      51      48      54      20      48      54
      57      21      48      54      60      21      48      54      63      21
      72      69      66      19      75      69      66      19      75      69
      72      19      78      69      66      22      78      69      72      22
      78      69      75      22      81      78      69      23      90      87
      84      19      93      87      84      19      93      87      90      19
      96      87      84      22      96      87      90      22      96      87
      93      22      99      96      87      23     108     105     102      19
     111     105     102      19     111     105     108      19     114     105
     102      22     114     105     108      22     114     105     111      22
     117     114     105      23     126     123     120      19     129     123
     120      19     129     123     126      19     132     123     120      22
     132     123     126      22     132     123     129      22     135     132
     123      23     144     141     138      19     147     141     138      19
     147     141     144      19     150     141     138      22     150     141
     144      22     150     141     147      22     153     150     141      23
     162     159     156      19     165     159     156      19     165     159
     162      19     168     159     156      22     168     159     162      22
     168     159     165      22     171     168     159      23     180     177
     174      19     183     177     174      19     183     177     180      19
     186     177     174      22     186     177     180      22     186     177
     183      22     189     186     177      23     198     195     192      19
     201     195     192      19     201     195     198      19     204     195
     192      22     204     195     198      22     204     195     201      22
     207     204     195      23     216     213     210      19     219     213
     210      19     219     213     216      19     222     213     210      22
     222     213     216      22     222     213     219      22     225     222
     213      23     234     231     228      19     237     231     228      19
     237     231     234      19     240     231     228      22     240     231
     234      22     240     231     237      22     243     240     231      23
     252     249     246      19     255     249     246      19     255     249
     252      19     258     249     246      22     258     249     252      22
     258     249     255      22     261     258     249      23     270     267
     264      19     273     267     264      19     273     267     270      19
     276     267     264      22     276     267     270      22     276     267
     273      22     279     276     267      23     288     285     282      19
     291     285     282      19     291     285     288      19     294     285
     282      22     294     285     288      22     294     285     291      22
     297     294     285      23     306     303     300      19     309     303
     300      19     309     303     306      19     312     303     300      22
     312     303     306      22     312     303     309      22     315     312
     303      23     324     321     318      19     327     321     318      19
     327     321     324      19     330     321     318      22     330     321
     324      22     330     321     327      22     333     330     321      23
     342     339     336      19     345     339     336      19     345     339
     342      19     348     339     336      22     348     339     342      22
     348     339     345      22     351     348     339      23     360     357
     354      19     363     357     354      19     363     357     360      19
     366     357     354      22     366     357     360      22     366     357
     363      22     369     366     357      23     378     375     372      19
     381     375     372      19     381     375     378      19     384     375
     372      22     384     375     378      22     384     375     381      22
     387     384     375      23     396     393     390      19     399     393
     390      19     399     393     396      19     402     393     390      22
     402     393     396      22     402     393     399      22     405     402
     393      23     414     411     408      19     417     411     408      19
     417     411     414      19     420     411     408      22     420     411
     414      22     420     411     417      22     423     420     411      23
     432     429     426      19     435     429     426      19     435     429
     432      19     438     429     426      22     438     429     432      22
     438     429     435      22     441     438     429      23     450     447
     444      19     453     447     444      19     453     447     450      19
     456     447     444      22     456     447     450      22     456     447
     453      22     459     456     447      23     468     465     462      19
     471     465     462      19     471     465     468      19     474     465
     462      22     474     465     468      22     474     465     471      22
     477     474     465      23     486     483     480      19     489     483
     480      19     489     483     486      19     492     483     480      22
     492     483     486      22     492     483     489      22     495     492
     483      23     504     501     498      19     507     501     498      19
     507     501     504      19     510     501     498      22     510     501
     504      22     510     501     507      22     513     510     501      23
     522     519     516      19     525     519     516      19     525     519
     522      19     528     519     516      22     528     519     522      22
     528     519     525      22     531     528     519      23     540     537
     534      19     543     537     534      19     543     537     540      19
     546     537     534      22     546     537     540      22     546     537
     543      22     549     546     537      23     558     555     552      19
     561     555     552      19     561     555     558      19     564     555
     552      22     564     555     558      22     564     555     561      22
     567     564     555      23     576     573     570      19     579     573
     570      19     579     573     576      19     582     573     570      22
     582     573     576      22     582     573     579      22     585     582
     573      23     594     591     588      19     597     591     588      19
     597     591     594      19     600     591     588      22     600     591
     594      22     600     591     597      22     603     600     591      23
     612     609     606      19     615     609     606      19     615     609
     612      19     618     609     606      22     618     609     612      22
     618     609     615      22     621     618     609      23     630     627
     624      19     633     627     624      19     633     627     630      19
     636     627     624      22     636     627     630      22     636     627
     633      22     639     636     627      23     648     645     642      19
     651     645     642      19     651     645     648      19     654     645
     642      22     654     645     648      22     654     645     651      22
     657     654     645      23     666     663     660      19     669     663
     660      19     669     663     666      19     672     663     660      22
     672     663     666      22     672     663     669      22     675     672
     663      23     684     681     678      19     687     681     678      19
     687     681     684      19     690     681     678      22     690     681
     684      22     690     681     687      22     693     690     681      23
     702     699     696      19     705     699     696      19     705     699
     702      19     708     699     696      22     708     699     702      22
     708     699     705      22     711     708     699      23     720     717
     714      19     723     717     714      19     723     717     720      19
     726     717     714      22     726     717     720      22     726     717
     723      22     729     726     717      23     738     735     732      19
     741     735     732      19     741     735     738      19     744     735
     732      22     744     735     738      22     744     735     741      22
     747     744     735      23     756     753     750      19     759     753
     750      19     759     753     756      19     762     753     750      22
     762     753     756      22     762     753     759      22     765     762
     753      23     774     771     768      19     777     771     768      19
     777     771     774      19     780     771     768      22     780     771
     774      22     780     771     777      22     783     780     771      23
     792     789     786      19     795     789     786      19     795     789
     792      19     798     789     786      22     798     789     792      22
     798     789     795      22     801     798     789      23     810     807
     804      19     813     807     804      19     813     807     810      19
     816     807     804      22     816     807     810      22     816     807
     813      22     819     816     807      23     828     825     822      19
     831     825     822      19     831     825     828      19     834     825
     822      22     834     825     828      22     834     825     831      22
     837     834     825      23     846     843     840      19     849     843
     840      19     849     843     846      19     852     843     840      22
     852     843     846      22     852     843     849      22     855     852
     843      23     864     861     858      19     867     861     858      19
     867     861     864      19     870     861     858      22     870     861
     864      22     870     861     867      22     873     870     861      23
     882     879     876      19     885     879     876      19     885     879
     882      19     888     879     876      22     888     879     882      22
     888     879     885      22     891     888     879      23     900     897
     894      19     903     897     894      19     903     897     900      19
     906     897     894      22     906     897     900      22     906     897
     903      22     909     906     897      23     918     915     912      19
     921     915     912      19     921     915     918      19     924     915
     912      22     924     915     918      22     924     915     921      22
     927     924     915      23     936     933     930      19     939     933
     930      19     939     933     936      19     942     933     930      22
     942     933     936      22     942     933     939      22     945     942
     933      23     954     951     948      19     957     951     948      19
     957     951     954      19     960     951     948      22     960     951
     954      22     960     951     957      22     963     960     951      23
     972     969     966      19     975     969     966      19     975     969
     972      19     978     969     966      22     978     969     972      22
     978     969     975      22     981     978     969      23     990     987
     984      19     993     987     984      19     993     987     990      19
     996     987     984      22     996     987     990      22     996     987
     993      22     999     996     987      23    1008    1005    1002      19
    1011    1005    1002      19    1011    1005    1008      19    1014    1005
    1002      22    1014    1005    1008      22    1014    1005    1011      22
    1017    1014    1005      23    1026    1023    1020      19    1029    1023
    1020      19    1029    1023    1026      19    1032    1023    1020      22
    1032    1023    1026      22    1032    1023    1029      22    1035    1032
    1023      23    1044    1041    1038      19    1047    1041    1038      19
    1047    1041    1044      19    1050    1041    1038      22    1050    1041
    1044      22    1050    1041    1047      22    1053    1050    1041      23
    1062    1059    1056      19    1065    1059    1056      19    1065    1059
    1062      19    1068    1059    1056      22    1068    1059    1062      22
    1068    1059    1065      22    1071    1068    1059      23    1080    1077
    1074      19    1083    1077    1074      19    1083    1077    1080      19
    1086    1077    1074      22    1086    1077    1080      22    1086    1077
    1083      22    1089    1086    1077      23    1098    1095    1092      19
    1101    1095    1092      19    1101    1095    1098      19    1104    1095
    1092      22    1104    1095    1098      22    1104    1095    1101      22
    1107    1104    1095      23    1116    1113    1110      19    1119    1113
    1110      19    1119    1113    1116      19    1122    1113    1110      22
    1122    1113    1116      22    1122    1113    1119      22    1125    1122
    1113      23    1134    1131    1128      19    1137    1131    1128      19
    1137    1131    1134      19    1140    1131    1128      22    1140    1131
    1134      22    1140    1131    1137      22    1143    1140    1131      23
    1152    1149    1146      19    1155    1149    1146      19    1155    1149
    1152      19    1158    1149    1146      22    1158    1149    1152      22
    1158    1149    1155      22    1161    1158    1149      23    1170    1167
    1164      19    1173    1167    1164      19    1173    1167    1170      19
    1176    1167    1164      22    1176    1167    1170      22    1176    1167
    1173      22    1179    1176    1167      23    1188    1185    1182      19
    1191    1185    1182      19    1191    1185    1188      19    1194    1185
    1182      22    1194    1185    1188      22    1194    1185    1191      22
    1197    1194    1185      23    1206    1203    1200      19    1209    1203
    1200      19    1209    1203    1206      19    1212    1203    1200      22
    1212    1203    1206      22    1212    1203    1209      22    1215    1212
    1203      23    1224    1221    1218      19    1227    1221    1218      19
    1227    1221    1224      19    1230    1221    1218      22    1230    1221
    1224      22    1230    1221    1227      22    1233    1230    1221      23
    1242    1239    1236      19    1245    1239    1236      19    1245    1239
    1242      19    1248    1239    1236      22    1248    1239    1242      22
    1248    1239    1245      22    1251    1248    1239      23    1260    1257
    1254      19    1263    1257    1254      19    1263    1257    1260      19
    1266    1257    1254      22    1266    1257    1260      22    1266    1257
    1263      22    1269    1266    1257      23    1278    1275    1272      19
    1281    1275    1272      19    1281    1275    1278      19    1284    1275
    1272      22    1284    1275    1278      22    1284    1275    1281      22
    1287    1284    1275      23    1296    1293    1290      19    1299    1293
    1290      19    1299    1293    1296      19    1302    1293    1290      22
    1302    1293    1296      22    1302    1293    1299      22    1305    1302
    1293      23    1314    1311    1308      19    1317    1311    1308      19
    1317    1311    1314      19    1320    1311    1308      22    1320    1311
    1314      22    1320    1311    1317      22    1323    1320    1311      23
    1332    1329    1326      19    1335    1329    1326      19    1335    1329
    1332      19    1338    1329    1326      22    1338    1329    1332      22
    1338    1329    1335      22    1341    1338    1329      23    1350    1347
    1344      19    1353    1347    1344      19    1353    1347    1350      19
    1356    1347    1344      22    1356    1347    1350      22    1356    1347
    1353      22    1359    1356    1347      23    1368    1365    1362      19
    1371    1365    1362      19    1371    1365    1368      19    1374    1365
    1362      22    1374    1365    1368      22    1374    1365    1371      22
    1377    1374    1365      23    1386    1383    1380      19    1389    1383
    1380      19    1389    1383    1386      19    1392    1383    1380      22
    1392    1383    1386      22    1392    1383    1389      22    1395    1392
    1383      23    1404    1401    1398      19    1407    1401    1398      19
    1407    1401    1404      19    1410    1401    1398      22    1410    1401
    1404      22    1410    1401    1407      22    1413    1410    1401      23
    1422    1419    1416      19    1425    1419    1416      19    1425    1419
    1422      19    1428    1419    1416      22    1428    1419    1422      22
    1428    1419    1425      22    1431    1428    1419      23    1440    1437
    1434      19    1443    1437    1434      19    1443    1437    1440      19
    1446    1437    1434      22    1446    1437    1440      22    1446    1437
    1443      22    1449    1446    1437      23    1458    1455    1452      19
    1461    1455    1452      19    1461    1455    1458      19    1464    1455
    1452      22    1464    1455    1458      22    1464    1455    1461      22
    1467    1464    1455      23    1476    1473    1470      19    1479    1473
    1470      19    1479    1473    1476      19    1482    1473    1470      22
    1482    1473    1476      22    1482    1473    1479      22    1485    1482
    1473      23    1494    1491    1488      19    1497    1491    1488      19
    1497    1491    1494      19    1500    1491    1488      22    1500    1491
    1494      22    1500    1491    1497      22    1503    1500    1491      23
    1512    1509    1506      19    1515    1509    1506      19    1515    1509
    1512      19    1518    1509    1506      22    1518    1509    1512      22
    1518    1509    1515      22    1521    1518    1509      23    1530    1527
    1524      19    1533    1527    1524      19    1533    1527    1530      19
    1536    1527    1524      22    1536    1527    1530      22    1536    1527
    1533      22    1539    1536    1527      23    1548    1545    1542      19
    1551    1545    1542      19    1551    1545    1548      19    1554    1545
    1542      22    1554    1545    1548      22    1554    1545    1551      22
    1557    1554    1545      23    1566    1563    1560      19    1569    1563
    1560      19    1569    1563    1566      19    1572    1563    1560      22
    1572    1563    1566      22    1572    1563    1569      22    1575    1572
    1563      23    1584    1581    1578      19    1587    1581    1578      19
    1587    1581    1584      19    1590    1581    1578      22    1590    1581
    1584      22    1590    1581    1587      22    1593    1590    1581      23
    1602    1599    1596      19    1605    1599    1596      19    1605    1599
    1602      19    1608    1599    1596      22    1608    1599    1602      22
    1608    1599    1605      22    1611    1608    1599      23    1620    1617
    1614      19    1623    1617    1614      19    1623    1617    1620      19
    1626    1617    1614      22    1626    1617    1620      22    1626    1617
    1623      22    1629    1626    1617      23    1638    1635    1632      19
    1641    1635    1632      19    1641    1635    1638      19    1644    1635
    1632      22    1644    1635    1638      22    1644    1635    1641      22
    1647    1644    1635      23    1656    1653    1650      19    1659    1653
    1650      19    1659    1653    1656      19    1662    1653    1650      22
    1662    1653    1656      22    1662    1653    1659      22    1665    1662
    1653      23    1674    1671    1668      19    1677    1671    1668      19
    1677    1671    1674      19    1680    1671    1668      22    1680    1671
    1674      22    1680    1671    1677      22    1683    1680    1671      23
    1692    1689    1686      19    1695    1689    1686      19    1695    1689
    1692      19    1698    1689    1686      22    1698    1689    1692      22
    1698    1689    1695      22    1701    1698    1689      23    1710    1707
    1704      19    1713    1707    1704      19    1713    1707    1710      19
    1716    1707    1704      22    1716    1707    1710      22    1716    1707
    1713      22    1719    1716    1707      23    1728    1725    1722      19
    1731    1725    1722      19    1731    1725    1728      19    1734    1725
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    3513      22    3519    3516    3507      23    3528    3525    3522      19
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%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      15      12      18       1      12      18      24       3       3      12
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      42      48      54       8      30      24      42       9      24      42
      45      13      24      42      48      14      18      24      30      17
      18      24      42      18
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
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    1071    1068    1059    1056      19    1071    1068    1059    1062      19
    1071    1068    1059    1065      19    1089    1086    1077    1074      19
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    4347    4344    4335    4332      19    4347    4344    4335    4338      19
    4347    4344    4335    4341      19    4365    4362    4353    4350      19
    4365    4362    4353    4356      19    4365    4362    4353    4359      19
    4383    4380    4371    4368      19    4383    4380    4371    4374      19
    4383    4380    4371    4377      19    4401    4398    4389    4386      19
    4401    4398    4389    4392      19    4401    4398    4389    4395      19
    4419    4416    4407    4404      19    4419    4416    4407    4410      19
    4419    4416    4407    4413      19    4437    4434    4425    4422      19
    4437    4434    4425    4428      19    4437    4434    4425    4431      19
    4455    4452    4443    4440      19    4455    4452    4443    4446      19
    4455    4452    4443    4449      19    4473    4470    4461    4458      19
    4473    4470    4461    4464      19    4473    4470    4461    4467      19
    4491    4488    4479    4476      19    4491    4488    4479    4482      19
    4491    4488    4479    4485      19    4509    4506    4497    4494      19
    4509    4506    4497    4500      19    4509    4506    4497    4503      19
    4527    4524    4515    4512      19    4527    4524    4515    4518      19
    4527    4524    4515    4521      19    4545    4542    4533    4530      19
    4545    4542    4533    4536      19    4545    4542    4533    4539      19
    4563    4560    4551    4548      19    4563    4560    4551    4554      19
    4563    4560    4551    4557      19    4581    4578    4569    4566      19
    4581    4578    4569    4572      19    4581    4578    4569    4575      19
    4599    4596    4587    4584      19    4599    4596    4587    4590      19
    4599    4596    4587    4593      19    4617    4614    4605    4602      19
    4617    4614    4605    4608      19    4617    4614    4605    4611      19
    4635    4632    4623    4620      19    4635    4632    4623    4626      19
    4635    4632    4623    4629      19    4653    4650    4641    4638      19
    4653    4650    4641    4644      19    4653    4650    4641    4647      19
    4671    4668    4659    4656      19    4671    4668    4659    4662      19
    4671    4668    4659    4665      19    4689    4686    4677    4674      19
    4689    4686    4677    4680      19    4689    4686    4677    4683      19
    4707    4704    4695    4692      19    4707    4704    4695    4698      19
    4707    4704    4695    4701      19    4725    4722    4713    4710      19
    4725    4722    4713    4716      19    4725    4722    4713    4719      19
      12      24     -18     -21      21      42      54     -48     -51      21
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      15      12      18      24       2      12      18      24      30       1
      12      18     -24      30       4      12      18     -24      30       5
      12      18     -24      30       6      12      18      24      42       7
      12      18     -24      42       8      12      18     -24      42       9
      12      18     -24      42       6       3      12      18      24       2
      45      42      48      54       2      30      24      42      45       3
      30      24      42      48      13      30      24     -42      48      14
      30      24     -42      48      15      30      24     -42      48       6
      24      42      48      54       2      18      24      42      45       3
      18      24      42      48      16      18      24     -42      48      17
      18      24     -42      48      18      18      24     -42      48       6
       3      18     -12     -15      20      24      48     -42     -45      20
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       3       4       5       6
       7       8       9       4       5       6       7       5       6       7
       6       7       8       9      10      11      15       7       8       9
       8       9      10      11      12      13      14      15      16      17
       9      10      11      15      10      11      12      13      14      15
      16      17      18      19      11      12      13      14      15      16
      17      12      13      14      15      16      17      13      14      15
      14      15      15      16      17      18      19      20      21      22
      17      18      19      18      19      20      21      22      19      20
      21      22      20      21      22      21      22      22       0      24
      25      26      27      28      25      26      27      28      26      27
      28      27      28      28       0      30      31      32      33      34
      31      32      33      34      32      33      34      33      34      34
       0      36      37      38      39      40      37      38      39      40
      38      39      40      39      40      40       0      42      43      44
      45      46      43      44      45      46      44      45      46      45
      46      46       0      48      49      50      51      52      49      50
      51      52      50      51      52      51      52      52       0      54
      55      56      57      58      55      56      57      58      56      57
      58      57      58      58       0      60      61      62      63      64
      61      62      63      64      62      63      64      63      64      64
       0      66      67      68      69      70      67      68      69      70
      68      69      70      69      70      70       0      72      73      74
      75      76      73      74      75      76      74      75      76      75
      76      76       0      78      79      80      81      82      79      80
      81      82      80      81      82      81      82      82       0      84
      85      86      87      88      85      86      87      88      86      87
      88      87      88      88       0      90      91      92      93      94
      91      92      93      94      92      93      94      93      94      94
       0      96      97      98      99     100      97      98      99     100
      98      99     100      99     100     100       0     102     103     104
     105     106     103     104     105     106     104     105     106     105
     106     106       0     108     109     110     111     112     109     110
     111     112     110     111     112     111     112     112       0     114
     115     116     117     118     115     116     117     118     116     117
     118     117     118     118       0     120     121     122     123     124
     121     122     123     124     122     123     124     123     124     124
       0     126     127     128     129     130     127     128     129     130
     128     129     130     129     130     130       0     132     133     134
     135     136     133     134     135     136     134     135     136     135
     136     136       0     138     139     140     141     142     139     140
     141     142     140     141     142     141     142     142       0     144
     145     146     147     148     145     146     147     148     146     147
     148     147     148     148       0     150     151     152     153     154
     151     152     153     154     152     153     154     153     154     154
       0     156     157     158     159     160     157     158     159     160
     158     159     160     159     160     160       0     162     163     164
     165     166     163     164     165     166     164     165     166     165
     166     166       0     168     169     170     171     172     169     170
     171     172     170     171     172     171     172     172       0     174
     175     176     177     178     175     176     177     178     176     177
     178     177     178     178       0     180     181     182     183     184
     181     182     183     184     182     183     184     183     184     184
       0     186     187     188     189     190     187     188     189     190
     188     189     190     189     190     190       0     192     193     194
     195     196     193     194     195     196     194     195     196     195
     196     196       0     198     199     200     201     202     199     200
     201     202     200     201     202     201     202     202       0     204
     205     206     207     208     205     206     207     208     206     207
     208     207     208     208       0     210     211     212     213     214
     211     212     213     214     212     213     214     213     214     214
       0     216     217     218     219     220     217     218     219     220
     218     219     220     219     220     220       0     222     223     224
     225     226     223     224     225     226     224     225     226     225
     226     226       0     228     229     230     231     232     229     230
     231     232     230     231     232     231     232     232       0     234
     235     236     237     238     235     236     237     238     236     237
     238     237     238     238       0     240     241     242     243     244
     241     242     243     244     242     243     244     243     244     244
       0     246     247     248     249     250     247     248     249     250
     248     249     250     249     250     250       0     252     253     254
     255     256     253     254     255     256     254     255     256     255
     256     256       0     258     259     260     261     262     259     260
     261     262     260     261     262     261     262     262       0     264
     265     266     267     268     265     266     267     268     266     267
     268     267     268     268       0     270     271     272     273     274
     271     272     273     274     272     273     274     273     274     274
       0     276     277     278     279     280     277     278     279     280
     278     279     280     279     280     280       0     282     283     284
     285     286     283     284     285     286     284     285     286     285
     286     286       0     288     289     290     291     292     289     290
     291     292     290     291     292     291     292     292       0     294
     295     296     297     298     295     296     297     298     296     297
     298     297     298     298       0     300     301     302     303     304
     301     302     303     304     302     303     304     303     304     304
       0     306     307     308     309     310     307     308     309     310
     308     309     310     309     310     310       0     312     313     314
     315     316     313     314     315     316     314     315     316     315
     316     316       0     318     319     320     321     322     319     320
     321     322     320     321     322     321     322     322       0     324
     325     326     327     328     325     326     327     328     326     327
     328     327     328     328       0     330     331     332     333     334
     331     332     333     334     332     333     334     333     334     334
       0     336     337     338     339     340     337     338     339     340
     338     339     340     339     340     340       0     342     343     344
     345     346     343     344     345     346     344     345     346     345
     346     346       0     348     349     350     351     352     349     350
     351     352     350     351     352     351     352     352       0     354
     355     356     357     358     355     356     357     358     356     357
     358     357     358     358       0     360     361     362     363     364
     361     362     363     364     362     363     364     363     364     364
       0     366     367     368     369     370     367     368     369     370
     368     369     370     369     370     370       0     372     373     374
     375     376     373     374     375     376     374     375     376     375
     376     376       0     378     379     380     381     382     379     380
     381     382     380     381     382     381     382     382       0     384
     385     386     387     388     385     386     387     388     386     387
     388     387     388     388       0     390     391     392     393     394
     391     392     393     394     392     393     394     393     394     394
       0     396     397     398     399     400     397     398     399     400
     398     399     400     399     400     400       0     402     403     404
     405     406     403     404     405     406     404     405     406     405
     406     406       0     408     409     410     411     412     409     410
     411     412     410     411     412     411     412     412       0     414
     415     416     417     418     415     416     417     418     416     417
     418     417     418     418       0     420     421     422     423     424
     421     422     423     424     422     423     424     423     424     424
       0     426     427     428     429     430     427     428     429     430
     428     429     430     429     430     430       0     432     433     434
     435     436     433     434     435     436     434     435     436     435
     436     436       0     438     439     440     441     442     439     440
     441     442     440     441     442     441     442     442       0     444
     445     446     447     448     445     446     447     448     446     447
     448     447     448     448       0     450     451     452     453     454
     451     452     453     454     452     453     454     453     454     454
       0     456     457     458     459     460     457     458     459     460
     458     459     460     459     460     460       0     462     463     464
     465     466     463     464     465     466     464     465     466     465
     466     466       0     468     469     470     471     472     469     470
     471     472     470     471     472     471     472     472       0     474
     475     476     477     478     475     476     477     478     476     477
     478     477     478     478       0     480     481     482     483     484
     481     482     483     484     482     483     484     483     484     484
       0     486     487     488     489     490     487     488     489     490
     488     489     490     489     490     490       0     492     493     494
     495     496     493     494     495     496     494     495     496     495
     496     496       0     498     499     500     501     502     499     500
     501     502     500     501     502     501     502     502       0     504
     505     506     507     508     505     506     507     508     506     507
     508     507     508     508       0     510     511     512     513     514
     511     512     513     514     512     513     514     513     514     514
       0     516     517     518     519     520     517     518     519     520
     518     519     520     519     520     520       0     522     523     524
     525     526     523     524     525     526     524     525     526     525
     526     526       0     528     529     530     531     532     529     530
     531     532     530     531     532     531     532     532       0     534
     535     536     537     538     535     536     537     538     536     537
     538     537     538     538       0     540     541     542     543     544
     541     542     543     544     542     543     544     543     544     544
       0     546     547     548     549     550     547     548     549     550
     548     549     550     549     550     550       0     552     553     554
     555     556     553     554     555     556     554     555     556     555
     556     556       0     558     559     560     561     562     559     560
     561     562     560     561     562     561     562     562       0     564
     565     566     567     568     565     566     567     568     566     567
     568     567     568     568       0     570     571     572     573     574
     571     572     573     574     572     573     574     573     574     574
       0     576     577     578     579     580     577     578     579     580
     578     579     580     579     580     580       0     582     583     584
     585     586     583     584     585     586     584     585     586     585
     586     586       0     588     589     590     591     592     589     590
     591     592     590     591     592     591     592     592       0     594
     595     596     597     598     595     596     597     598     596     597
     598     597     598     598       0     600     601     602     603     604
     601     602     603     604     602     603     604     603     604     604
       0     606     607     608     609     610     607     608     609     610
     608     609     610     609     610     610       0     612     613     614
     615     616     613     614     615     616     614     615     616     615
     616     616       0     618     619     620     621     622     619     620
     621     622     620     621     622     621     622     622       0     624
     625     626     627     628     625     626     627     628     626     627
     628     627     628     628       0     630     631     632     633     634
     631     632     633     634     632     633     634     633     634     634
       0     636     637     638     639     640     637     638     639     640
     638     639     640     639     640     640       0     642     643     644
     645     646     643     644     645     646     644     645     646     645
     646     646       0     648     649     650     651     652     649     650
     651     652     650     651     652     651     652     652       0     654
     655     656     657     658     655     656     657     658     656     657
     658     657     658     658       0     660     661     662     663     664
     661     662     663     664     662     663     664     663     664     664
       0     666     667     668     669     670     667     668     669     670
     668     669     670     669     670     670       0     672     673     674
     675     676     673     674     675     676     674     675     676     675
     676     676       0     678     679     680     681     682     679     680
     681     682     680     681     682     681     682     682       0     684
     685     686     687     688     685     686     687     688     686     687
     688     687     688     688       0     690     691     692     693     694
     691     692     693     694     692     693     694     693     694     694
       0     696     697     698     699     700     697     698     699     700
     698     699     700     699     700     700       0     702     703     704
     705     706     703     704     705     706     704     705     706     705
     706     706       0     708     709     710     711     712     709     710
     711     712     710     711     712     711     712     712       0     714
     715     716     717     718     715     716     717     718     716     717
     718     717     718     718       0     720     721     722     723     724
     721     722     723     724     722     723     724     723     724     724
       0     726     727     728     729     730     727     728     729     730
     728     729     730     729     730     730       0     732     733     734
     735     736     733     734     735     736     734     735     736     735
     736     736       0     738     739     740     741     742     739     740
     741     742     740     741     742     741     742     742       0     744
     745     746     747     748     745     746     747     748     746     747
     748     747     748     748       0     750     751     752     753     754
     751     752     753     754     752     753     754     753     754     754
       0     756     757     758     759     760     757     758     759     760
     758     759     760     759     760     760       0     762     763     764
     765     766     763     764     765     766     764     765     766     765
     766     766       0     768     769     770     771     772     769     770
     771     772     770     771     772     771     772     772       0     774
     775     776     777     778     775     776     777     778     776     777
     778     777     778     778       0     780     781     782     783     784
     781     782     783     784     782     783     784     783     784     784
       0     786     787     788     789     790     787     788     789     790
     788     789     790     789     790     790       0     792     793     794
     795     796     793     794     795     796     794     795     796     795
     796     796       0     798     799     800     801     802     799     800
     801     802     800     801     802     801     802     802       0     804
     805     806     807     808     805     806     807     808     806     807
     808     807     808     808       0     810     811     812     813     814
     811     812     813     814     812     813     814     813     814     814
       0     816     817     818     819     820     817     818     819     820
     818     819     820     819     820     820       0     822     823     824
     825     826     823     824     825     826     824     825     826     825
     826     826       0     828     829     830     831     832     829     830
     831     832     830     831     832     831     832     832       0     834
     835     836     837     838     835     836     837     838     836     837
     838     837     838     838       0     840     841     842     843     844
     841     842     843     844     842     843     844     843     844     844
       0     846     847     848     849     850     847     848     849     850
     848     849     850     849     850     850       0     852     853     854
     855     856     853     854     855     856     854     855     856     855
     856     856       0     858     859     860     861     862     859     860
     861     862     860     861     862     861     862     862       0     864
     865     866     867     868     865     866     867     868     866     867
     868     867     868     868       0     870     871     872     873     874
     871     872     873     874     872     873     874     873     874     874
       0     876     877     878     879     880     877     878     879     880
     878     879     880     879     880     880       0     882     883     884
     885     886     883     884     885     886     884     885     886     885
     886     886       0     888     889     890     891     892     889     890
     891     892     890     891     892     891     892     892       0     894
     895     896     897     898     895     896     897     898     896     897
     898     897     898     898       0     900     901     902     903     904
     901     902     903     904     902     903     904     903     904     904
       0     906     907     908     909     910     907     908     909     910
     908     909     910     909     910     910       0     912     913     914
     915     916     913     914     915     916     914     915     916     915
     916     916       0     918     919     920     921     922     919     920
     921     922     920     921     922     921     922     922       0     924
     925     926     927     928     925     926     927     928     926     927
     928     927     928     928       0     930     931     932     933     934
     931     932     933     934     932     933     934     933     934     934
       0     936     937     938     939     940     937     938     939     940
     938     939     940     939     940     940       0     942     943     944
     945     946     943     944     945     946     944     945     946     945
     946     946       0     948     949     950     951     952     949     950
     951     952     950     951     952     951     952     952       0     954
     955     956     957     958     955     956     957     958     956     957
     958     957     958     958       0     960     961     962     963     964
     961     962     963     964     962     963     964     963     964     964
       0     966     967     968     969     970     967     968     969     970
     968     969     970     969     970     970       0     972     973     974
     975     976     973     974     975     976     974     975     976     975
     976     976       0     978     979     980     981     982     979     980
     981     982     980     981     982     981     982     982       0     984
     985     986     987     988     985     986     987     988     986     987
     988     987     988     988       0     990     991     992     993     994
     991     992     993     994     992     993     994     993     994     994
       0     996     997     998     999    1000     997     998     999    1000
     998     999    1000     999    1000    1000       0    1002    1003    1004
    1005    1006    1003    1004    1005    1006    1004    1005    1006    1005
    1006    1006       0    1008    1009    1010    1011    1012    1009    1010
    1011    1012    1010    1011    1012    1011    1012    1012       0    1014
    1015    1016    1017    1018    1015    1016    1017    1018    1016    1017
    1018    1017    1018    1018       0    1020    1021    1022    1023    1024
    1021    1022    1023    1024    1022    1023    1024    1023    1024    1024
       0    1026    1027    1028    1029    1030    1027    1028    1029    1030
    1028    1029    1030    1029    1030    1030       0    1032    1033    1034
    1035    1036    1033    1034    1035    1036    1034    1035    1036    1035
    1036    1036       0    1038    1039    1040    1041    1042    1039    1040
    1041    1042    1040    1041    1042    1041    1042    1042       0    1044
    1045    1046    1047    1048    1045    1046    1047    1048    1046    1047
    1048    1047    1048    1048       0    1050    1051    1052    1053    1054
    1051    1052    1053    1054    1052    1053    1054    1053    1054    1054
       0    1056    1057    1058    1059    1060    1057    1058    1059    1060
    1058    1059    1060    1059    1060    1060       0    1062    1063    1064
    1065    1066    1063    1064    1065    1066    1064    1065    1066    1065
    1066    1066       0    1068    1069    1070    1071    1072    1069    1070
    1071    1072    1070    1071    1072    1071    1072    1072       0    1074
    1075    1076    1077    1078    1075    1076    1077    1078    1076    1077
    1078    1077    1078    1078       0    1080    1081    1082    1083    1084
    1081    1082    1083    1084    1082    1083    1084    1083    1084    1084
       0    1086    1087    1088    1089    1090    1087    1088    1089    1090
    1088    1089    1090    1089    1090    1090       0    1092    1093    1094
    1095    1096    1093    1094    1095    1096    1094    1095    1096    1095
    1096    1096       0    1098    1099    1100    1101    1102    1099    1100
    1101    1102    1100    1101    1102    1101    1102    1102       0    1104
    1105    1106    1107    1108    1105    1106    1107    1108    1106    1107
    1108    1107    1108    1108       0    1110    1111    1112    1113    1114
    1111    1112    1113    1114    1112    1113    1114    1113    1114    1114
       0    1116    1117    1118    1119    1120    1117    1118    1119    1120
    1118    1119    1120    1119    1120    1120       0    1122    1123    1124
    1125    1126    1123    1124    1125    1126    1124    1125    1126    1125
    1126    1126       0    1128    1129    1130    1131    1132    1129    1130
    1131    1132    1130    1131    1132    1131    1132    1132       0    1134
    1135    1136    1137    1138    1135    1136    1137    1138    1136    1137
    1138    1137    1138    1138       0    1140    1141    1142    1143    1144
    1141    1142    1143    1144    1142    1143    1144    1143    1144    1144
       0    1146    1147    1148    1149    1150    1147    1148    1149    1150
    1148    1149    1150    1149    1150    1150       0    1152    1153    1154
    1155    1156    1153    1154    1155    1156    1154    1155    1156    1155
    1156    1156       0    1158    1159    1160    1161    1162    1159    1160
    1161    1162    1160    1161    1162    1161    1162    1162       0    1164
    1165    1166    1167    1168    1165    1166    1167    1168    1166    1167
    1168    1167    1168    1168       0    1170    1171    1172    1173    1174
    1171    1172    1173    1174    1172    1173    1174    1173    1174    1174
       0    1176    1177    1178    1179    1180    1177    1178    1179    1180
    1178    1179    1180    1179    1180    1180       0    1182    1183    1184
    1185    1186    1183    1184    1185    1186    1184    1185    1186    1185
    1186    1186       0    1188    1189    1190    1191    1192    1189    1190
    1191    1192    1190    1191    1192    1191    1192    1192       0    1194
    1195    1196    1197    1198    1195    1196    1197    1198    1196    1197
    1198    1197    1198    1198       0    1200    1201    1202    1203    1204
    1201    1202    1203    1204    1202    1203    1204    1203    1204    1204
       0    1206    1207    1208    1209    1210    1207    1208    1209    1210
    1208    1209    1210    1209    1210    1210       0    1212    1213    1214
    1215    1216    1213    1214    1215    1216    1214    1215    1216    1215
    1216    1216       0    1218    1219    1220    1221    1222    1219    1220
    1221    1222    1220    1221    1222    1221    1222    1222       0    1224
    1225    1226    1227    1228    1225    1226    1227    1228    1226    1227
    1228    1227    1228    1228       0    1230    1231    1232    1233    1234
    1231    1232    1233    1234    1232    1233    1234    1233    1234    1234
       0    1236    1237    1238    1239    1240    1237    1238    1239    1240
    1238    1239    1240    1239    1240    1240       0    1242    1243    1244
    1245    1246    1243    1244    1245    1246    1244    1245    1246    1245
    1246    1246       0    1248    1249    1250    1251    1252    1249    1250
    1251    1252    1250    1251    1252    1251    1252    1252       0    1254
    1255    1256    1257    1258    1255    1256    1257    1258    1256    1257
    1258    1257    1258    1258       0    1260    1261    1262    1263    1264
    1261    1262    1263    1264    1262    1263    1264    1263    1264    1264
       0    1266    1267    1268    1269    1270    1267    1268    1269    1270
    1268    1269    1270    1269    1270    1270       0    1272    1273    1274
    1275    1276    1273    1274    1275    1276    1274    1275    1276    1275
    1276    1276       0    1278    1279    1280    1281    1282    1279    1280
    1281    1282    1280    1281    1282    1281    1282    1282       0    1284
    1285    1286    1287    1288    1285    1286    1287    1288    1286    1287
    1288    1287    1288    1288       0    1290    1291    1292    1293    1294
    1291    1292    1293    1294    1292    1293    1294    1293    1294    1294
       0    1296    1297    1298    1299    1300    1297    1298    1299    1300
    1298    1299    1300    1299    1300    1300       0    1302    1303    1304
    1305    1306    1303    1304    1305    1306    1304    1305    1306    1305
    1306    1306       0    1308    1309    1310    1311    1312    1309    1310
    1311    1312    1310    1311    1312    1311    1312    1312       0    1314
    1315    1316    1317    1318    1315    1316    1317    1318    1316    1317
    1318    1317    1318    1318       0    1320    1321    1322    1323    1324
    1321    1322    1323    1324    1322    1323    1324    1323    1324    1324
       0    1326    1327    1328    1329    1330    1327    1328    1329    1330
    1328    1329    1330    1329    1330    1330       0    1332    1333    1334
    1335    1336    1333    1334    1335    1336    1334    1335    1336    1335
    1336    1336       0    1338    1339    1340    1341    1342    1339    1340
    1341    1342    1340    1341    1342    1341    1342    1342       0    1344
    1345    1346    1347    1348    1345    1346    1347    1348    1346    1347
    1348    1347    1348    1348       0    1350    1351    1352    1353    1354
    1351    1352    1353    1354    1352    1353    1354    1353    1354    1354
       0    1356    1357    1358    1359    1360    1357    1358    1359    1360
    1358    1359    1360    1359    1360    1360       0    1362    1363    1364
    1365    1366    1363    1364    1365    1366    1364    1365    1366    1365
    1366    1366       0    1368    1369    1370    1371    1372    1369    1370
    1371    1372    1370    1371    1372    1371    1372    1372       0    1374
    1375    1376    1377    1378    1375    1376    1377    1378    1376    1377
    1378    1377    1378    1378       0    1380    1381    1382    1383    1384
    1381    1382    1383    1384    1382    1383    1384    1383    1384    1384
       0    1386    1387    1388    1389    1390    1387    1388    1389    1390
    1388    1389    1390    1389    1390    1390       0    1392    1393    1394
    1395    1396    1393    1394    1395    1396    1394    1395    1396    1395
    1396    1396       0    1398    1399    1400    1401    1402    1399    1400
    1401    1402    1400    1401    1402    1401    1402    1402       0    1404
    1405    1406    1407    1408    1405    1406    1407    1408    1406    1407
    1408    1407    1408    1408       0    1410    1411    1412    1413    1414
    1411    1412    1413    1414    1412    1413    1414    1413    1414    1414
       0    1416    1417    1418    1419    1420    1417    1418    1419    1420
    1418    1419    1420    1419    1420    1420       0    1422    1423    1424
    1425    1426    1423    1424    1425    1426    1424    1425    1426    1425
    1426    1426       0    1428    1429    1430    1431    1432    1429    1430
    1431    1432    1430    1431    1432    1431    1432    1432       0    1434
    1435    1436    1437    1438    1435    1436    1437    1438    1436    1437
    1438    1437    1438    1438       0    1440    1441    1442    1443    1444
    1441    1442    1443    1444    1442    1443    1444    1443    1444    1444
       0    1446    1447    1448    1449    1450    1447    1448    1449    1450
    1448    1449    1450    1449    1450    1450       0    1452    1453    1454
    1455    1456    1453    1454    1455    1456    1454    1455    1456    1455
    1456    1456       0    1458    1459    1460    1461    1462    1459    1460
    1461    1462    1460    1461    1462    1461    1462    1462       0    1464
    1465    1466    1467    1468    1465    1466    1467    1468    1466    1467
    1468    1467    1468    1468       0    1470    1471    1472    1473    1474
    1471    1472    1473    1474    1472    1473    1474    1473    1474    1474
       0    1476    1477    1478    1479    1480    1477    1478    1479    1480
    1478    1479    1480    1479    1480    1480       0    1482    1483    1484
    1485    1486    1483    1484    1485    1486    1484    1485    1486    1485
    1486    1486       0    1488    1489    1490    1491    1492    1489    1490
    1491    1492    1490    1491    1492    1491    1492    1492       0    1494
    1495    1496    1497    1498    1495    1496    1497    1498    1496    1497
    1498    1497    1498    1498       0    1500    1501    1502    1503    1504
    1501    1502    1503    1504    1502    1503    1504    1503    1504    1504
       0    1506    1507    1508    1509    1510    1507    1508    1509    1510
    1508    1509    1510    1509    1510    1510       0    1512    1513    1514
    1515    1516    1513    1514    1515    1516    1514    1515    1516    1515
    1516    1516       0    1518    1519    1520    1521    1522    1519    1520
    1521    1522    1520    1521    1522    1521    1522    1522       0    1524
    1525    1526    1527    1528    1525    1526    1527    1528    1526    1527
    1528    1527    1528    1528       0    1530    1531    1532    1533    1534
    1531    1532    1533    1534    1532    1533    1534    1533    1534    1534
       0    1536    1537    1538    1539    1540    1537    1538    1539    1540
    1538    1539    1540    1539    1540    1540       0    1542    1543    1544
    1545    1546    1543    1544    1545    1546    1544    1545    1546    1545
    1546    1546       0    1548    1549    1550    1551    1552    1549    1550
    1551    1552    1550    1551    1552    1551    1552    1552       0    1554
    1555    1556    1557    1558    1555    1556    1557    1558    1556    1557
    1558    1557    1558    1558       0    1560    1561    1562    1563    1564
    1561    1562    1563    1564    1562    1563    1564    1563    1564    1564
       0    1566    1567    1568    1569    1570    1567    1568    1569    1570
    1568    1569    1570    1569    1570    1570       0    1572    1573    1574
    1575    1576    1573    1574    1575    1576    1574    1575    1576    1575
    1576    1576       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
HC  CT  HC  HC  C   O   N   H   CX  H1  CT  HC  HC  HC  C   O   N   H   CT  H1  
H1  H1  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  
OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  
H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  H1  CT  H1  H1  OH  HO  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   M   E   E   M   E   M   E   M   E   3   E   E   E   M   E   M   E   M   E   
E   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   
M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
M   M   E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   M   M   
E   E   M   E   M   M   E   E   M   E   M   M   E   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       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
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       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
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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       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       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       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0
%FLAG SOLVENT_POINTERS                                                          
%FORMAT(3I8)                                                                    
       3     260       2
%FLAG ATOMS_PER_MOLECULE                                                        
%FORMAT(10I8)                                                                   
      22       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
%FLAG BOX_DIMENSIONS                                                            
%FORMAT(5E16.8)                                                                 
  9.00000000E+01  3.06888000E+01  3.27928000E+01  2.80968000E+01
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.30000000E+00
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%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0