File: Protein.ff99.parm7

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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 (1821 lines) | stat: -rw-r--r-- 146,029 bytes
%VERSION  VERSION_STAMP = V0001.000  DATE = 04/06/16  15:14:12                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
GLY                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     324      14     157     172     355     232     704     443       0       0
    1772      20     172     232     443      41      87      39      28       0
       0       0       0       0       0       0       0       0      24       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  
HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 
CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG2 HG21
HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 
HB3 CA  HA  C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  
CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 
CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 SG  HG  
C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   
H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   
O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12
NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 
C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 
HZ3 CE3 HE3 CD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   
CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 
CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 
HE21HE22C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
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 -1.20267180E+00  3.38934780E-01  3.38934780E-01  3.38934780E-01  1.08841798E+01
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  3.44401470E-01  3.88134990E-01  3.88134990E-01 -1.27556100E-01  4.61024190E-01
  4.61024190E-01 -4.84713180E-01  1.16804943E+00  1.07438681E+01 -1.04741780E+01
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  6.65842842E+00  7.83558900E-02 -4.44259674E+00  1.16987166E+00  1.16987166E+00
  1.16987166E+00 -1.23200970E+01  7.47478746E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00 -2.55112200E-02  1.59627348E+00 -2.76978960E-01
  5.37557850E-01  5.37557850E-01 -2.00445300E-02 -3.47317038E+00  3.09596877E+00
 -4.26584043E+00  3.01761288E+00  5.87851398E+00 -1.01662212E+01  7.27434216E+00
 -4.26584043E+00  3.01761288E+00 -3.47317038E+00  3.09596877E+00  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00  3.88134990E-01  2.04818652E+00
 -2.24316513E+00  2.02631976E+00  2.02631976E+00 -5.68353537E+00  3.52237059E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -4.31868510E-01
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  8.01781200E-01  8.01781200E-01 -4.98744351E+00 -9.76715280E-01  1.24640532E+00
  1.24640532E+00  1.24640532E+00  1.08841798E+01 -1.03484442E+01 -6.33953817E+00
  5.00566581E+00 -4.37335200E+00  2.59849998E+00 -1.71289620E-01  6.59647260E-01
  6.59647260E-01  3.40757010E-01  1.87689690E-01  1.87689690E-01 -8.72848170E-01
  1.13160483E+00  1.13160483E+00 -2.60578890E-01  2.06823105E+00  2.06823105E+00
 -7.02287442E+00  6.19558200E+00  6.19558200E+00  6.19558200E+00  1.33769904E+01
 -1.07402236E+01 -6.33953817E+00  5.00566581E+00 -4.80522051E+00  2.84267880E+00
 -1.27556100E-02  5.95869210E-01  5.95869210E-01  7.10669700E-01  5.19335550E-01
  5.19335550E-01  8.85603780E-01  1.25187201E+00  1.25187201E+00 -9.64870785E+00
  6.29762688E+00  1.47163295E+01 -1.57203782E+01  8.15994594E+00  8.15994594E+00
 -1.57203782E+01  8.15994594E+00  8.15994594E+00  1.33769904E+01 -1.07402236E+01
 -7.57501011E+00  4.95464337E+00 -1.05871563E+00  2.47823280E+00 -1.34845020E-01
  6.68758410E-01  6.68758410E-01  3.40392564E+00 -9.89835336E+00  2.97934605E+00
  2.61490005E+00 -5.09313285E+00  6.08442597E+00 -4.02166161E+00  3.39299226E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -5.01113250E-01
  2.04636429E+00 -9.11115000E-02  6.17735970E-01  6.17735970E-01 -2.57845545E+00
 -2.98481274E+00  3.75743826E+00 -6.22838214E+00  6.21744876E+00  2.51467740E+00
 -4.73962023E+00  2.86454556E+00 -2.06640882E+00  2.58209991E+00 -3.59343756E+00
  2.63676681E+00 -4.34966301E+00  3.09779100E+00  2.26503189E+00  1.08841798E+01
 -1.03484442E+01 -9.40817349E+00  5.35006728E+00  6.94269630E-01  1.60356240E+00
 -5.52135690E-01 -2.22312060E-01 -2.22312060E-01  1.45669066E+01 -1.46033512E+01
 -1.46033512E+01  9.77808618E+00 -1.06035564E+01 -9.40817349E+00  5.35006728E+00
  7.23425310E-01  2.01356415E+00  1.02044880E+00 -3.15245790E-01 -3.15245790E-01
  2.47823280E-01 -7.74447750E-01 -7.74447750E-01  1.46762404E+01 -1.49204192E+01
 -1.49204192E+01  9.77808618E+00 -1.06035564E+01 -7.57501011E+00  4.95464337E+00
  2.60578890E-01  1.90969704E+00 -3.71917143E+00  1.45231731E+00  1.45231731E+00
  1.29924999E+01 -1.08076461E+01 -1.67481159E+01  7.64607708E+00  7.64607708E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -5.64891300E-02
  1.54889550E+00 -6.56002800E-02  3.11601330E-01  3.11601330E-01 -1.17533835E+00
  6.41424960E-01  6.41424960E-01  1.26663207E+01 -1.10900918E+01 -1.71417176E+01
  7.74629973E+00  7.74629973E+00  1.08841798E+01 -1.03484442E+01
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       7       1       6       1       1       6       8       7       1       6
       1       6       1       1       1       6       8       7       1       6
       1       6       1       6       1       1       1       6       1       1
       1       6       8       7       1       6       1       6       1       1
       6       1       6       1       1       1       6       1       1       1
       6       8       7       1       6       1       6       1       6       1
       1       1       6       1       1       6       1       1       1       6
       8       7       1       6       1       6       1       1       6       6
       1       6       1       6       1       6       1       6       1       6
       8       7       6       1       1       6       1       1       6       1
       1       6       1       6       8       7       1       6       1       6
       1       1       8       1       6       8       7       1       6       1
       6       1       6       1       1       1       8       1       6       8
       7       1       6       1       6       1       1       6       6       1
       6       1       6       8       1       6       1       6       1       6
       8       7       1       6       1       6       1       1      16       1
       6       8       7       1       6       1       6       1       1       6
       1       1      16       6       1       1       1       6       8       7
       1       6       1       6       1       1       6       1       1       6
       1       1       6       1       1       7       1       1       1       6
       8       7       1       6       1       6       1       1       6       1
       1       6       1       1       7       1       6       7       1       1
       7       1       1       6       8       7       1       6       1       6
       1       1       6       7       6       1       7       1       6       1
       6       8       7       1       6       1       6       1       1       6
       6       1       7       1       6       6       1       6       1       6
       1       6       1       6       6       8       7       1       6       1
       6       1       1       6       8       8       6       8       7       1
       6       1       6       1       1       6       1       1       6       8
       8       6       8       7       1       6       1       6       1       1
       6       8       7       1       1       6       8       7       1       6
       1       6       1       1       6       1       1       6       8       7
       1       1       6       8
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
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  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
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  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.40100000E+01
  1.00800000E+00  1.20100000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00
  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.40100000E+01  1.20100000E+01
  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
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  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.60000000E+01  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.60000000E+01  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       3       4       4       5       6       1       2       3
       4       3       7       7       7       5       6       1       2       3
       4       3       7       3       7       7       7       3       7       7
       7       5       6       1       2       3       4       3       7       7
       3       7       3       7       7       7       3       7       7       7
       5       6       1       2       3       4       3       7       3       7
       7       7       3       7       7       3       7       7       7       5
       6       1       2       3       4       3       7       7       5       5
       8       5       8       5       8       5       8       5       8       5
       6       1       3       4       4       3       7       7       3       7
       7       3       4       5       6       1       2       3       4       3
       4       4       9      10       5       6       1       2       3       4
       3       4       3       7       7       7       9      10       5       6
       1       2       3       4       3       7       7       5       5       8
       5       8       5       9      10       5       8       5       8       5
       6       1       2       3       4       3       4       4      11       2
       5       6       1       2       3       4       3       7       7       3
       4       4      11       3       4       4       4       5       6       1
       2       3       4       3       7       7       3       7       7       3
       7       7       3      12      12       1       2       2       2       5
       6       1       2       3       4       3       7       7       3       7
       7       3       4       4       1       2       5       1       2       2
       1       2       2       5       6       1       2       3       4       3
       7       7       5       1       5      13       1       2       5      14
       5       6       1       2       3       4       3       7       7       5
       5      14       1       2       5       5       8       5       8       5
       8       5       8       5       5       6       1       2       3       4
       3       7       7       5       6       6       5       6       1       2
       3       4       3       7       7       3       7       7       5       6
       6       5       6       1       2       3       4       3       7       7
       5       6       1       2       2       5       6       1       2       3
       4       3       7       7       3       7       7       5       6       1
       2       2       5       6
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       7       4       7       4       3       7       3      10       4      10
       7       6       3       2       1       7       3      10       4      16
       7      12       9       8       3       2       1       4       2       1
       1       7       3      10       4      13       7      15       6       5
      10       8       7       3       2       1       3       2       1       1
       7       3      10       4      16       7      15       9       8       3
       2       1       7       5       4       3       2       1       1       7
       3      10       4      12       7      12       5       4      10       8
       4       6       3       5       3       3       2       1       1      10
       3      14      11       6       5       8       5       4       7       4
       3       6       3       7       3      10       4      11       7       7
       4       3       2       1       7       3      10       4      14       7
      10       7       6       3       2       1       2       1       7       3
      10       4      12       7      12       5       4      10       8       4
       7       3       6       4       1       3       2       1       1       7
       3      10       4      11       7       7       4       3       2       1
       7       3      10       4      13       7      10       6       5       8
       3       2       4       3       2       1       1       7       3      10
       4      13       7      12       6       5      10       5       4       9
       5       4       6       5       4       3       2       1       1       7
       3      10       4      13       7      12       6       5       9       5
       4       7       4       3       8       3       6       5       2       1
       2       1       1       7       3      10       4      12       7      11
       5       4       8       6       5       3       3       2       1       1
       7       3      10       4      12       7      12       5       4      11
       7       4       7       3       8       7       4       6       3       4
       3       2       1       1       7       3      10       4      12       7
       8       5       4       3       1       1       7       3      10       4
      13       7      11       6       5       6       4       3       2       1
       1       7       3      10       4      12       7      10       5       4
       5       3       2       1       1       7       3       9       4      10
       6      10       6       5       8       4       3       4       3       2
       1       1       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37      46
      56      67      79      92       2       3       5       8      12      17
      23      30      38      47      57      68      80      93       4       5
       6       9      13      18      24      31      39      48      58      69
      81      94       7       8       9      10      14      19      25      32
      40      49      59      70      82      95      11      12      13      14
      15      20      26      33      41      50      60      71      83      96
      16      17      18      19      20      21      27      34      42      51
      61      72      84      97      22      23      24      25      26      27
      28      35      43      52      62      73      85      98      29      30
      31      32      33      34      35      36      44      53      63      74
      86      99      37      38      39      40      41      42      43      44
      45      54      64      75      87     100      46      47      48      49
      50      51      52      53      54      55      65      76      88     101
      56      57      58      59      60      61      62      63      64      65
      66      77      89     102      67      68      69      70      71      72
      73      74      75      76      77      78      90     103      79      80
      81      82      83      84      85      86      87      88      89      90
      91     104      92      93      94      95      96      97      98      99
     100     101     102     103     104     105
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
GLY ALA VAL LEU ILE PHE PRO SER THR TYR CYS MET LYS ARG HIE TRP ASP GLU ASN GLN 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1       8      18      34      53      72      92     106     117     131
     152     163     180     202     226     243     267     279     294     308
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.17000000E+02  4.34000000E+02
  3.37000000E+02  3.40000000E+02  3.10000000E+02  3.67000000E+02  4.69000000E+02
  3.17000000E+02  5.53000000E+02  3.20000000E+02  4.50000000E+02  4.69000000E+02
  2.74000000E+02  2.37000000E+02  2.27000000E+02  4.34000000E+02  3.40000000E+02
  3.67000000E+02  4.34000000E+02  4.81000000E+02  3.37000000E+02  3.67000000E+02
  4.34000000E+02  4.27000000E+02  3.67000000E+02  4.77000000E+02  4.88000000E+02
  4.10000000E+02  5.18000000E+02  3.17000000E+02  4.69000000E+02  4.69000000E+02
  4.47000000E+02  4.28000000E+02  5.46000000E+02  3.88000000E+02  3.17000000E+02
  6.56000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.52200000E+00  1.01000000E+00
  1.44900000E+00  1.09000000E+00  1.52600000E+00  1.08000000E+00  1.40000000E+00
  1.51000000E+00  9.60000000E-01  1.41000000E+00  1.36400000E+00  1.40900000E+00
  1.33600000E+00  1.81000000E+00  1.81000000E+00  1.01000000E+00  1.09000000E+00
  1.47100000E+00  1.01000000E+00  1.34000000E+00  1.46300000E+00  1.08000000E+00
  1.01000000E+00  1.38100000E+00  1.08000000E+00  1.34300000E+00  1.33500000E+00
  1.39400000E+00  1.37100000E+00  1.50400000E+00  1.40400000E+00  1.40000000E+00
  1.41900000E+00  1.38000000E+00  1.35200000E+00  1.45900000E+00  1.49500000E+00
  1.25000000E+00
%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  5.00000000E+01  6.30000000E+01
  3.50000000E+01  6.30000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01
  4.00000000E+01  5.00000000E+01  6.30000000E+01  5.00000000E+01  7.00000000E+01
  6.30000000E+01  5.00000000E+01  5.00000000E+01  5.50000000E+01  5.00000000E+01
  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
  5.00000000E+01  4.30000000E+01  5.00000000E+01  5.00000000E+01  6.20000000E+01
  5.00000000E+01  3.50000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01
  5.00000000E+01  8.00000000E+01  3.50000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01  5.00000000E+01
  6.30000000E+01  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01  7.00000000E+01
  5.00000000E+01  7.00000000E+01  6.30000000E+01  6.30000000E+01  5.00000000E+01
  7.00000000E+01  7.00000000E+01  6.30000000E+01  8.00000000E+01  5.00000000E+01
  7.00000000E+01  3.50000000E+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  2.06018753E+00  1.91113635E+00  1.92160833E+00
  1.91113635E+00  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91462701E+00
  1.91113635E+00  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.09439600E+00
  1.98967620E+00  2.05948940E+00  1.91113635E+00  1.89368305E+00  1.91113635E+00
  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
  1.91113635E+00  1.67551680E+00  1.89542838E+00  1.91113635E+00  1.72613137E+00
  2.00189351E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.94080696E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
  1.91113635E+00  2.06647072E+00  2.15024656E+00  1.94080696E+00  2.09439600E+00
  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
  2.09439600E+00  2.09439600E+00  2.04203610E+00  2.09439600E+00  2.09439600E+00
  1.91113635E+00  2.09439600E+00  2.09439600E+00  1.97396823E+00  2.09439600E+00
  2.09439600E+00  2.14151991E+00  2.09439600E+00  2.09439600E+00  2.02807346E+00
  2.14850123E+00  2.31779824E+00  1.82212452E+00  1.85703112E+00  1.94778828E+00
  2.09439600E+00  1.89717371E+00  1.89891904E+00  2.35445017E+00  1.91113635E+00
  2.18166250E+00  2.24449438E+00  2.01760148E+00  2.19911580E+00  1.91113635E+00
  2.04203610E+00  2.09439600E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  5.30000000E-01  1.50000000E-01
  5.00000000E-01  8.00000000E-01  8.50000000E-01  8.00000000E-02  1.70000000E+00
  2.00000000E+00  1.55555556E-01  7.00000000E-02  1.00000000E-01  1.60000000E-01
  1.50000000E-01  2.00000000E-01  2.50000000E-01  1.80000000E-01  3.62500000E+00
  1.66666667E-01  2.50000000E-01  0.00000000E+00  2.30000000E+00  2.50000000E-01
  3.33333333E-01  2.40000000E+00  1.50000000E+00  2.32500000E+00  5.37500000E+00
  5.00000000E+00  3.00000000E+00  3.50000000E+00  1.52500000E+00  6.52500000E+00
  1.67500000E+00  1.05000000E+01  1.10000000E+00  1.00000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  2.00000000E+00  4.00000000E+00  3.00000000E+00
  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  2.00000000E+00
  3.00000000E+00  1.00000000E+00  3.00000000E+00  2.00000000E+00  3.00000000E+00
  3.00000000E+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
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+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  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  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  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  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
  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
  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)                                                                 
  9.44293233E+05  2.12601181E+03  1.39982777E-01  9.95480466E+05  2.56678134E+03
  1.04308023E+06  6.20665997E+04  5.94667300E+01  6.78771368E+04  3.25969625E+03
  8.82619071E+05  2.27577561E+03  9.24822270E+05  6.01816484E+04  8.19971662E+05
  6.06829342E+05  1.02595236E+03  6.47841731E+05  3.69471530E+04  5.74393458E+05
  3.79876399E+05  8.96776989E+04  1.07193646E+02  9.71708117E+04  4.98586848E+03
  8.61541883E+04  5.44261042E+04  7.51607703E+03  7.91627154E+04  8.90987508E+01
  8.59947003E+04  4.33325458E+03  7.62451550E+04  4.77908183E+04  6.55825601E+03
  5.71629601E+03  7.44975864E+05  1.40467023E+03  7.91544157E+05  4.66922514E+04
  7.01803794E+05  4.71003287E+05  6.82786631E+04  6.00750218E+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  0.00000000E+00
  2.01562190E+06  5.97860700E+03  2.09861767E+06  1.42791446E+05  1.86068943E+06
  1.32911052E+06  2.02461849E+05  1.79647996E+05  1.61587928E+06  0.00000000E+00
  4.19430400E+06  2.01791425E+04  9.14716912E+00  2.27401052E+04  8.79040886E+02
  2.01619733E+04  1.12780457E+04  1.41077189E+03  1.21014911E+03  1.45985502E+04
  0.00000000E+00  4.93469320E+04  2.01823541E+02  5.46147253E+04  4.90239937E+01
  5.98885646E+04  2.82099197E+03  5.30987710E+04  3.23283631E+04  4.33325458E+03
  3.76169105E+03  4.09427581E+04  0.00000000E+00  1.26338489E+05  7.50063100E+02
  2.43828624E+03  6.58473870E+04  6.63368273E+01  7.18621074E+04  3.50301067E+03
  6.37148278E+04  3.93690817E+04  5.34045360E+03  4.64559155E+03  4.96707306E+04
  0.00000000E+00  1.50848032E+05  9.55000044E+02  3.03448006E+03  3.76169105E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.01323529E+02  2.09604198E+01  9.37598976E-02  7.36907417E+02  2.06278363E+01
  6.75612247E+02  1.13252061E+02  1.93248820E+00  1.06076943E+02  1.43076527E+01
  6.53361429E+02  1.82891803E+01  5.99015525E+02  9.40505980E+01  5.31102864E+02
  6.77220874E+02  1.53505284E+01  6.26720080E+02  9.21192136E+01  5.55666448E+02
  5.64885984E+02  1.36131731E+02  2.59456373E+00  1.26919150E+02  1.76949863E+01
  1.12529845E+02  1.11805549E+02  2.17257828E+01  1.26451907E+02  2.33864085E+00
  1.18043746E+02  1.63092814E+01  1.04660679E+02  1.03580945E+02  2.00642027E+01
  1.85196588E+01  7.50714425E+02  1.79702257E+01  6.93079947E+02  1.03606917E+02
  6.14502845E+02  6.29300710E+02  1.25287818E+02  1.16187983E+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  0.00000000E+00
  1.28923404E+03  3.87070358E+01  1.17824605E+03  1.89165096E+02  1.04466382E+03
  1.10369829E+03  2.25248294E+02  2.09772716E+02  1.21753341E+03  0.00000000E+00
  2.04800000E+03  6.45756063E+01  7.57919667E-01  6.13981767E+01  7.42992380E+00
  5.44372326E+01  5.08951803E+01  9.41257003E+00  8.61880722E+00  5.79323581E+01
  0.00000000E+00  1.11203892E+02  3.56012899E+00  1.05031585E+02  1.73473071E+00
  9.85097219E+01  1.31591746E+01  8.73413012E+01  8.51921330E+01  1.63092814E+01
  1.50233639E+01  9.59185913E+01  0.00000000E+00  1.75916126E+02  6.78541827E+00
  1.20953369E+01  1.15327881E+02  2.01792524E+00  1.07908863E+02  1.46638650E+01
  9.56748258E+01  9.40124296E+01  1.81057616E+01  1.66953734E+01  1.05648788E+02
  0.00000000E+00  1.92224012E+02  7.65648470E+00  1.34932874E+01  1.50233639E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       6       9       3       6      12       3       0       3       5      33
      36       7      33      39       7      33      42       7      27      30
       3      21      24       5      81      84       7      81      87       7
      81      90       7      69      72       7      69      75       7      69
      78       7      63      66       7      57      60       3      51      54
       5     138     141       7     138     144       7     138     147       7
     126     129       7     126     132       7     126     135       7     120
     123       7     111     114       7     111     117       7     105     108
       3      99     102       5     195     198       7     195     201       7
     195     204       7     186     189       7     186     192       7     174
     177       7     174     180       7     174     183       7     168     171
       7     162     165       3     156     159       5     261     264       9
     255     258       9     249     252       9     243     246       9     237
     240       9     225     228       7     225     231       7     219     222
       3     213     216       5     303     306       3     294     297       7
     294     300       7     285     288       7     285     291       7     276
     279       3     276     282       3     336     339      12     327     330
       3     327     333       3     321     324       3     315     318       5
     378     381      12     366     369       7     366     372       7     366
     375       7     360     363       3     354     357       3     348     351
       5     441     444       9     435     438       9     429     432      12
     420     423       9     414     417       9     402     405       7     402
     408       7     396     399       3     390     393       5     474     477
      16     465     468       3     465     471       3     459     462       3
     453     456       5     519     522       3     519     525       3     519
     528       3     507     510       3     507     513       3     498     501
       7     498     504       7     492     495       3     486     489       5
     585     588      19     585     591      19     585     594      19     576
     579      20     576     582      20     567     570       7     567     573
       7     558     561       7     558     564       7     549     552       7
     549     555       7     543     546       3     537     540       5     660
     663      22     660     666      22     651     654      22     651     657
      22     642     645      22     633     636       3     633     639       3
     624     627       7     624     630       7     615     618       7     615
     621       7     609     612       3     603     606       5     714     717
      25     708     711      26     702     705      28     687     690       7
     687     693       7     681     684       3     675     678       5     783
     786       9     777     780       9     771     774       9     765     768
       9     756     759      26     750     753      25     738     741       7
     738     744       7     732     735       3     726     729       5     810
     813       7     810     816       7     804     807       3     798     801
       5     855     858       7     855     861       7     846     849       7
     846     852       7     840     843       3     834     837       5     906
     909       5     906     912       5     891     894       7     891     897
       7     885     888       3     879     882       5     957     960       5
     957     963       5     942     945       7     942     948       7     933
     936       7     933     939       7     927     930       3     921     924
       5
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      15      18       1      15      21       2       6      15       4       0
       6       6      45      48       1      45      51       2      27      33
       8      27      45       4      21      27       6      93      96       1
      93      99       2      63      69       8      63      81       8      57
      63       8      57      93       4      51      57       6     150     153
       1     150     156       2     120     126       8     120     138       8
     111     120       8     105     111       8     105     150       4      99
     105       6     207     210       1     207     213       2     186     195
       8     168     174       8     168     186       8     162     168       8
     162     207       4     156     162       6     267     270       1     267
     273       2     255     261      10     249     255      10     243     249
      10     237     243      10     234     237      10     234     261      10
     225     234      11     219     225       8     219     267       4     213
     219       6     309     312       1     309     315       2     303     309
       4     294     303       8     285     294       8     276     285       8
     273     276       6     273     303       6     342     345       1     342
     348       2     327     336      13     321     327       8     321     342
       4     315     321       6     384     387       1     384     390       2
     360     366       8     360     378      13     354     360       8     354
     384       4     348     354       6     447     450       1     447     453
       2     435     441      10     426     429      14     426     435      15
     420     426      15     414     420      10     411     414      10     411
     441      10     402     411      11     396     402       8     396     447
       4     390     396       6     480     483       1     480     486       2
     465     474      17     459     465       8     459     480       4     453
     459       6     531     534       1     531     537       2     516     519
      18     507     516      18     498     507       8     492     498       8
     492     531       4     486     492       6     597     600       1     597
     603       2     576     585      21     567     576       8     558     567
       8     549     558       8     543     549       8     543     597       4
     537     543       6     669     672       1     669     675       2     648
     651      23     648     660      23     642     648      23     633     642
      24     624     633       8     615     624       8     609     615       8
     609     669       4     603     609       6     720     723       1     720
     726       2     708     714      27     702     708      29     699     702
      30     696     699      31     696     714      32     687     696      33
     681     687       8     681     720       4     675     681       6     792
     795       1     792     798       2     783     789      34     777     783
      10     771     777      10     765     771      10     762     765      35
     762     789      36     756     762      37     750     756      27     747
     750      38     747     789      39     738     747      40     732     738
       8     732     792       4     726     732       6     828     831       1
     828     834       2     819     822      41     819     825      41     810
     819       4     804     810       8     804     828       4     798     804
       6     873     876       1     873     879       2     864     867      41
     864     870      41     855     864       4     846     855       8     840
     846       8     840     873       4     834     840       6     915     918
       1     915     921       2     900     903       1     900     906       2
     891     900       4     885     891       8     885     915       4     879
     885       6     966     969       1     951     954       1     951     957
       2     942     951       4     933     942       8     927     933       8
     927     966       4     921     927       6
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      15      21      24       2      12       6      15       4       9       6
      12       5       9       6      15       4       3       0       6       8
       0       6       9       9       0       6      12       9      45      51
      54       2      39      33      42      11      36      33      39      11
      36      33      42      11      30      27      33      13      30      27
      45       4      27      33      36      14      27      33      39      14
      27      33      42      14      24      21      27       8      21      27
      30       9      93      99     102       2      87      81      90      11
      84      81      87      11      84      81      90      11      75      69
      78      11      72      69      75      11      72      69      78      11
      66      63      69      14      66      63      81      14      63      69
      72      14      63      69      75      14      63      69      78      14
      63      81      84      14      63      81      87      14      63      81
      90      14      60      57      63      13      60      57      93       4
      57      63      66      14      54      51      57       8      51      57
      60       9     150     156     159       2     144     138     147      11
     141     138     144      11     141     138     147      11     132     126
     135      11     129     126     132      11     129     126     135      11
     123     120     126      14     123     120     138      14     120     126
     129      14     120     126     132      14     120     126     135      14
     120     138     141      14     120     138     144      14     120     138
     147      14     117     111     120      14     114     111     117      11
     114     111     120      14     111     120     123      14     108     105
     111      13     108     105     150       4     105     111     114      14
     105     111     117      14     102      99     105       8      99     105
     108       9     207     213     216       2     201     195     204      11
     198     195     201      11     198     195     204      11     192     186
     195      14     189     186     192      11     189     186     195      14
     186     195     198      14     186     195     201      14     186     195
     204      14     180     174     183      11     177     174     180      11
     177     174     183      11     171     168     174      14     171     168
     186      14     168     174     177      14     168     174     180      14
     168     174     183      14     168     186     189      14     168     186
     192      14     165     162     168      13     165     162     207       4
     162     168     171      14     159     156     162       8     156     162
     165       9     258     255     261      17     255     261     264      17
     252     249     255      17     249     255     258      17     246     243
     249      17     243     249     252      17     240     237     243      17
     237     243     246      17     234     237     240      17     234     261
     264      17     231     225     234      19     228     225     231      11
     228     225     234      19     222     219     225      13     222     219
     267       4     219     225     228      14     219     225     231      14
     216     213     219       8     213     219     222       9     309     315
     318       2     306     303     309       4     300     294     303      14
     297     294     300      11     297     294     303      14     294     303
     306      13     291     285     294      14     288     285     291      11
     288     285     294      14     285     294     297      14     285     294
     300      14     282     276     285      13     279     276     282       5
     279     276     285      13     276     285     288      14     276     285
     291      14     273     276     279       9     273     276     282       9
     273     303     306       9     342     348     351       2     333     327
     336      23     330     327     333       5     330     327     336      23
     327     336     339      24     324     321     327      13     324     321
     342       4     321     327     330      13     321     327     333      13
     318     315     321       8     315     321     324       9     384     390
     393       2     372     366     375      11     369     366     372      11
     369     366     375      11     363     360     366      13     363     360
     378      23     360     366     369      14     360     366     372      14
     360     366     375      14     360     378     381      24     357     354
     360      13     357     354     384       4     354     360     363      13
     351     348     354       8     348     354     357       9     447     453
     456       2     438     435     441      17     435     441     444      17
     426     429     432      27     426     435     438      28     423     420
     426      28     417     414     420      17     414     420     423      17
     411     414     417      17     411     441     444      17     408     402
     411      19     405     402     408      11     405     402     411      19
     399     396     402      13     399     396     447       4     396     402
     405      14     396     402     408      14     393     390     396       8
     390     396     399       9     480     486     489       2     471     465
     474      31     468     465     471       5     468     465     474      31
     465     474     477      32     462     459     465      13     462     459
     480       4     459     465     468      13     459     465     471      13
     456     453     459       8     453     459     462       9     531     537
     540       2     525     519     528       5     522     519     525       5
     522     519     528       5     516     519     522      34     516     519
     525      34     516     519     528      34     513     507     516      34
     510     507     513       5     510     507     516      34     504     498
     507      14     501     498     504      11     501     498     507      14
     498     507     510      13     498     507     513      13     495     492
     498      13     495     492     531       4     492     498     501      14
     492     498     504      14     489     486     492       8     486     492
     495       9     597     603     606       2     591     585     594      37
     588     585     591      37     588     585     594      37     582     576
     585      38     579     576     582      39     579     576     585      38
     576     585     588      40     576     585     591      40     576     585
     594      40     573     567     576      14     570     567     573      11
     570     567     576      14     567     576     579      41     567     576
     582      41     564     558     567      14     561     558     564      11
     561     558     567      14     558     567     570      14     558     567
     573      14     555     549     558      14     552     549     555      11
     552     549     558      14     549     558     561      14     549     558
     564      14     546     543     549      13     546     543     597       4
     543     549     552      14     543     549     555      14     540     537
     543       8     537     543     546       9     669     675     678       2
     663     660     666      43     654     651     657      43     648     651
     654      45     648     651     657      45     648     660     663      45
     648     660     666      45     645     642     648      45     639     633
     642      46     636     633     639       5     636     633     642      46
     633     642     645      47     630     624     633      14     627     624
     630      11     627     624     633      14     624     633     636      13
     624     633     639      13     621     615     624      14     618     615
     621      11     618     615     624      14     615     624     627      14
     615     624     630      14     612     609     615      13     612     609
     669       4     609     615     618      14     609     615     621      14
     606     603     609       8     603     609     612       9     720     726
     729       2     711     708     714      50     708     714     717      51
     705     702     708      52     702     708     711      53     699     702
     705      56     696     714     717      60     693     687     696      61
     690     687     693      11     690     687     696      61     684     681
     687      13     684     681     720       4     681     687     690      14
     681     687     693      14     678     675     681       8     675     681
     684       9     792     798     801       2     786     783     789      65
     780     777     783      17     777     783     786      17     774     771
     777      17     771     777     780      17     768     765     771      17
     765     771     774      17     762     765     768      68     759     756
     762      71     753     750     756      51     750     756     759      50
     747     750     753      76     744     738     747      80     741     738
     744      11     741     738     747      80     735     732     738      13
     735     732     792       4     732     738     741      14     732     738
     744      14     729     726     732       8     726     732     735       9
     828     834     837       2     816     810     819      85     813     810
     816      11     813     810     819      85     807     804     810      13
     807     804     828       4     804     810     813      14     804     810
     816      14     801     798     804       8     798     804     807       9
     873     879     882       2     861     855     864      85     858     855
     861      11     858     855     864      85     852     846     855      14
     849     846     852      11     849     846     855      14     846     855
     858      14     846     855     861      14     843     840     846      13
     843     840     873       4     840     846     849      14     840     846
     852      14     837     834     840       8     834     840     843       9
     915     921     924       2     909     906     912      87     900     906
     909       2     900     906     912       2     897     891     900      85
     894     891     897      11     894     891     900      85     888     885
     891      13     888     885     915       4     885     891     894      14
     885     891     897      14     882     879     885       8     879     885
     888       9     960     957     963      87     951     957     960       2
     951     957     963       2     948     942     951      85     945     942
     948      11     945     942     951      85     939     933     942      14
     936     933     939      11     936     933     942      14     933     942
     945      14     933     942     948      14     930     927     933      13
     930     927     966       4     927     933     936      14     927     933
     939      14     924     921     927       8     921     927     930       9
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      18      15      21       1      15      21      27       3       6      15
      18       6       6      15      21       7       0       6      15      10
      48      45      51       1      45      51      57       3      33      27
      45      12      27      45      48       6      27      45      51       7
      21      27      33      15      21      27      45      10      96      93
      99       1      93      99     105       3      69      63      81      16
      63      57      93      12      57      63      69      16      57      63
      81      16      57      93      96       6      57      93      99       7
      51      57      63      15      51      57      93      10     153     150
     156       1     150     156     162       3     126     120     138      16
     111     105     150      12     111     120     126      16     111     120
     138      16     105     111     120      16     105     150     153       6
     105     150     156       7      99     105     111      15      99     105
     150      10     210     207     213       1     207     213     219       3
     174     168     186      16     168     162     207      12     168     186
     195      16     162     168     174      16     162     168     186      16
     162     207     210       6     162     207     213       7     156     162
     168      15     156     162     207      10     270     267     273       1
     267     273     276       3     267     273     303       3     249     255
     261      18     243     249     255      18     237     234     261      18
     237     243     249      18     234     237     243      18     234     261
     255      18     225     219     267      12     225     234     237      20
     225     234     261      20     219     225     234      21     219     267
     270       6     219     267     273       7     213     219     225      15
     213     219     267      10     312     309     315       1     309     315
     321       3     303     309     312       6     303     309     315       7
     294     303     309      12     285     294     303      16     276     273
     303      22     276     285     294      16     273     276     285      15
     273     303     294      15     273     303     309      10     345     342
     348       1     342     348     354       3     327     321     342      12
     321     327     336      25     321     342     345       6     321     342
     348       7     315     321     327      15     315     321     342      10
     387     384     390       1     384     390     396       3     366     360
     378      25     360     354     384      12     354     360     366      16
     354     360     378      25     354     384     387       6     354     384
     390       7     348     354     360      15     348     354     384      10
     450     447     453       1     447     453     459       3     429     426
     435      26     426     435     441      29     420     426     429      26
     420     426     435      30     414     411     441      18     414     420
     426      29     411     414     420      18     411     441     435      18
     402     396     447      12     402     411     414      20     402     411
     441      20     396     402     411      21     396     447     450       6
     396     447     453       7     390     396     402      15     390     396
     447      10     483     480     486       1     480     486     492       3
     465     459     480      12     459     465     474      33     459     480
     483       6     459     480     486       7     453     459     465      15
     453     459     480      10     534     531     537       1     531     537
     543       3     507     516     519      35     498     492     531      12
     498     507     516      36     492     498     507      16     492     531
     534       6     492     531     537       7     486     492     498      15
     486     492     531      10     600     597     603       1     597     603
     609       3     567     576     585      42     558     567     576      16
     549     543     597      12     549     558     567      16     543     549
     558      16     543     597     600       6     543     597     603       7
     537     543     549      15     537     543     597      10     672     669
     675       1     669     675     681       3     651     648     660      44
     642     648     651      44     642     648     660      44     633     642
     648      48     624     633     642      49     615     609     669      12
     615     624     633      16     609     615     624      16     609     669
     672       6     609     669     675       7     603     609     615      15
     603     609     669      10     723     720     726       1     720     726
     732       3     702     708     714      54     699     696     714      55
     699     702     708      57     696     699     702      58     696     714
     708      59     687     681     720      12     687     696     699      62
     687     696     714      63     681     687     696      64     681     720
     723       6     681     720     726       7     675     681     687      15
     675     681     720      10     795     792     798       1     792     798
     804       3     777     783     789      66     771     777     783      18
     765     762     789      67     765     771     777      18     762     765
     771      69     762     789     783      70     756     762     765      72
     756     762     789      73     750     747     789      74     750     756
     762      75     747     750     756      77     747     789     762      78
     747     789     783      79     738     732     792      12     738     747
     750      81     738     747     789      82     732     738     747      83
     732     792     795       6     732     792     798       7     726     732
     738      15     726     732     792      10     831     828     834       1
     828     834     840       3     822     819     825      84     810     804
     828      12     810     819     822      86     810     819     825      86
     804     810     819      12     804     828     831       6     804     828
     834       7     798     804     810      15     798     804     828      10
     876     873     879       1     873     879     885       3     867     864
     870      84     855     864     867      86     855     864     870      86
     846     840     873      12     846     855     864      12     840     846
     855      16     840     873     876       6     840     873     879       7
     834     840     846      15     834     840     873      10     918     915
     921       1     915     921     927       3     903     900     906       1
     891     885     915      12     891     900     903       6     891     900
     906       7     885     891     900      12     885     915     918       6
     885     915     921       7     879     885     891      15     879     885
     915      10     954     951     957       1     942     951     954       6
     942     951     957       7     933     927     966      12     933     942
     951      12     927     933     942      16     927     966     969       6
     921     927     933      15     921     927     966      10
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      18      15      21      24       1      18      15     -21      24       2
      15      21      27      30       3      12       6      15      18       7
      12       6     -15      18       3      12       6     -15      18       9
      12       6      15      21       3       9       6      15      18       7
       9       6     -15      18       3       9       6     -15      18       9
       9       6      15      21       3       6      15      21      24       2
       3       0       6       9       3       3       0       6      12       3
       3       0       6      15       3      48      45      51      54       1
      48      45     -51      54       2      45      51      57      60       3
      42      33      27      45      12      39      33      27      45      12
      36      33      27      45      12      30      27      33      36      12
      30      27      33      39      12      30      27      33      42      12
      30      27      45      48       7      30      27     -45      48       3
      30      27     -45      48       9      30      27      45      51       3
      27      45      51      54       2      24      21      27      30       3
      24      21      27      33       3      24      21      27      45       3
      21      27      33      36      12      21      27      33      39      12
      21      27      33      42      12      96      93      99     102       1
      96      93     -99     102       2      93      99     105     108       3
      78      69      63      81      15      75      69      63      81      15
      72      69      63      81      15      69      63      81      84      15
      69      63      81      87      15      69      63      81      90      15
      66      63      57      93      12      66      63      69      72      16
      66      63      69      75      16      66      63      69      78      16
      66      63      81      84      16      66      63      81      87      16
      66      63      81      90      16      60      57      63      66      12
      60      57      63      69      12      60      57      63      81      12
      60      57      93      96       7      60      57     -93      96       3
      60      57     -93      96       9      60      57      93      99       3
      57      63      69      72      15      57      63      69      75      15
      57      63      69      78      15      57      63      81      84      15
      57      63      81      87      15      57      63      81      90      15
      57      93      99     102       2      54      51      57      60       3
      54      51      57      63       3      54      51      57      93       3
      51      57      63      66      12     153     150     156     159       1
     153     150    -156     159       2     150     156     162     165       3
     135     126     120     138      15     132     126     120     138      15
     129     126     120     138      15     126     120     138     141      15
     126     120     138     144      15     126     120     138     147      15
     123     120     126     129      16     123     120     126     132      16
     123     120     126     135      16     123     120     138     141      16
     123     120     138     144      16     123     120     138     147      16
     117     111     105     150      12     117     111     120     123      16
     117     111     120     126      15     117     111     120     138      15
     114     111     105     150      12     114     111     120     123      16
     114     111     120     126      15     114     111     120     138      15
     111     120     126     129      15     111     120     126     132      15
     111     120     126     135      15     111     120     138     141      15
     111     120     138     144      15     111     120     138     147      15
     108     105     111     114      12     108     105     111     117      12
     108     105     111     120      12     108     105     150     153       7
     108     105    -150     153       3     108     105    -150     153       9
     108     105     150     156       3     105     111     120     123      15
     105     150     156     159       2     102      99     105     108       3
     102      99     105     111       3     102      99     105     150       3
      99     105     111     114      12      99     105     111     117      12
     210     207     213     216       1     210     207    -213     216       2
     207     213     219     222       3     192     186     195     198      16
     192     186     195     201      16     192     186     195     204      16
     189     186     195     198      16     189     186     195     201      16
     189     186     195     204      16     183     174     168     186      15
     180     174     168     186      15     177     174     168     186      15
     174     168     186     189      15     174     168     186     192      15
     171     168     162     207      12     171     168     174     177      16
     171     168     174     180      16     171     168     174     183      16
     171     168     186     189      16     171     168     186     192      16
     171     168     186     195      15     168     186     195     198      15
     168     186     195     201      15     168     186     195     204      15
     165     162     168     171      12     165     162     168     174      12
     165     162     168     186      12     165     162     207     210       7
     165     162    -207     210       3     165     162    -207     210       9
     165     162     207     213       3     162     168     174     177      15
     162     168     174     180      15     162     168     174     183      15
     162     168     186     189      15     162     168     186     192      15
     162     207     213     216       2     159     156     162     165       3
     159     156     162     168       3     159     156     162     207       3
     156     162     168     171      12     267     273     276     279       3
     267     273     276     282       3     267     273     303     306       3
     258     255     261     264      20     252     249     255     258      20
     252     249     255     261      20     249     255     261     264      20
     246     243     249     252      20     246     243     249     255      20
     243     249     255     258      20     240     237     234     261      20
     240     237     243     246      20     240     237     243     249      20
     237     234     261     264      20     237     243     249     252      20
     234     237     243     246      20     234     261     255     258      20
     231     225     219     267      12     231     225     234     237       3
     231     225     234     261       3     228     225     219     267      12
     228     225     234     237       3     228     225     234     261       3
     225     234     237     240      20     225     234     261     264      20
     222     219     225     228      12     222     219     225     231      12
     222     219     225     234      12     222     219     267     270       7
     222     219    -267     270       3     222     219    -267     270       9
     222     219     267     273       3     216     213     219     222       3
     216     213     219     225       3     216     213     219     267       3
     213     219     225     228      12     213     219     225     231      12
     312     309     315     318       1     312     309    -315     318       2
     309     315     321     324       3     306     303     309     312       7
     306     303    -309     312       3     306     303    -309     312       9
     306     303     309     315       3     303     309     315     318       2
     300     294     303     306      12     300     294     303     309      12
     297     294     303     306      12     297     294     303     309      12
     291     285     294     297      16     291     285     294     300      16
     291     285     294     303      15     288     285     294     297      16
     288     285     294     300      16     288     285     294     303      15
     285     294     303     306      12     282     276     273     303       3
     282     276     285     288      12     282     276     285     291      12
     282     276     285     294      12     279     276     273     303       3
     279     276     285     288      12     279     276     285     291      12
     279     276     285     294      12     276     273     303     306       3
     276     285     294     297      15     276     285     294     300      15
     273     276     285     288      12     273     276     285     291      12
     273     303     294     297      12     273     303     294     300      12
     345     342     348     351       1     345     342    -348     351       2
     342     348     354     357       3     333     327     321     342      12
     333     327     336     339      21     330     327     321     342      12
     330     327     336     339      21     324     321     327     330      12
     324     321     327     333      12     324     321     327     336      22
     324     321    -327     336      23     324     321     342     345       7
     324     321    -342     345       3     324     321    -342     345       9
     324     321     342     348       3     321     327     336     339      22
     321     327    -336     339      15     321     342     348     351       2
     318     315     321     324       3     318     315     321     327       3
     318     315     321     342       3     315     321     327     330      12
     315     321     327     333      12     387     384     390     393       1
     387     384    -390     393       2     384     390     396     399       3
     375     366     360     378      22     375     366    -360     378      23
     372     366     360     378      22     372     366    -360     378      23
     369     366     360     378      22     369     366    -360     378      23
     366     360     378     381      22     366     360    -378     381      15
     363     360     354     384      12     363     360     366     369      12
     363     360     366     372      12     363     360     366     375      12
     363     360     378     381      21     357     354     360     363      12
     357     354     360     366      12     357     354     360     378      22
     357     354    -360     378      23     357     354     384     387       7
     357     354    -384     387       3     357     354    -384     387       9
     357     354     384     390       3     354     360     366     369      15
     354     360     366     372      15     354     360     366     375      15
     354     360     378     381      22     354     360    -378     381      15
     354     384     390     393       2     351     348     354     357       3
     351     348     354     360       3     351     348     354     384       3
     348     354     360     363      12     450     447     453     456       1
     450     447    -453     456       2     447     453     459     462       3
     438     435     441     444      20     432     429     426     435      24
     429     426     435     438      20     426     435     441     444      20
     423     420     426     429      20     423     420     426     435      20
     420     426     429     432      24     420     426     435     438      20
     417     414     411     441      20     417     414     420     423      20
     417     414     420     426      20     414     411     441     444      20
     411     414     420     423      20     411     441     435     438      20
     408     402     396     447      12     408     402     411     414       3
     408     402     411     441       3     405     402     396     447      12
     405     402     411     414       3     405     402     411     441       3
     402     411     414     417      20     402     411     441     444      20
     399     396     402     405      12     399     396     402     408      12
     399     396     402     411      12     399     396     447     450       7
     399     396    -447     450       3     399     396    -447     450       9
     399     396     447     453       3     396     447     453     456       2
     393     390     396     399       3     393     390     396     402       3
     393     390     396     447       3     390     396     402     405      12
     390     396     402     408      12     483     480     486     489       1
     483     480    -486     489       2     480     486     492     495       3
     471     465     459     480      12     471     465     474     477      25
     468     465     459     480      12     468     465     474     477      25
     462     459     465     468      12     462     459     465     471      12
     462     459     465     474      12     462     459     480     483       7
     462     459    -480     483       3     462     459    -480     483       9
     462     459     480     486       3     459     465     474     477      25
     459     480     486     489       2     456     453     459     462       3
     456     453     459     465       3     456     453     459     480       3
     453     459     465     468      12     453     459     465     471      12
     534     531     537     540       1     534     531    -537     540       2
     531     537     543     546       3     513     507     516     519      26
     510     507     516     519      26     507     516     519     522      26
     507     516     519     525      26     507     516     519     528      26
     504     498     492     531      12     504     498     507     510      12
     504     498     507     513      12     504     498     507     516      12
     501     498     492     531      12     501     498     507     510      12
     501     498     507     513      12     501     498     507     516      12
     495     492     498     501      12     495     492     498     504      12
     495     492     498     507      12     495     492     531     534       7
     495     492    -531     534       3     495     492    -531     534       9
     495     492     531     537       3     492     498     507     510      12
     492     498     507     513      12     492     531     537     540       2
     489     486     492     495       3     489     486     492     498       3
     489     486     492     531       3     486     492     498     501      12
     486     492     498     504      12     600     597     603     606       1
     600     597    -603     606       2     597     603     609     612       3
     582     576     585     588      12     582     576     585     591      12
     582     576     585     594      12     579     576     585     588      12
     579     576     585     591      12     579     576     585     594      12
     573     567     576     579      12     573     567     576     582      12
     573     567     576     585      12     570     567     576     579      12
     570     567     576     582      12     570     567     576     585      12
     567     576     585     588      12     567     576     585     591      12
     567     576     585     594      12     564     558     567     570      16
     564     558     567     573      16     564     558     567     576      15
     561     558     567     570      16     561     558     567     573      16
     561     558     567     576      15     558     567     576     579      12
     558     567     576     582      12     555     549     543     597      12
     555     549     558     561      16     555     549     558     564      16
     555     549     558     567      15     552     549     543     597      12
     552     549     558     561      16     552     549     558     564      16
     552     549     558     567      15     549     558     567     570      15
     549     558     567     573      15     546     543     549     552      12
     546     543     549     555      12     546     543     549     558      12
     546     543     597     600       7     546     543    -597     600       3
     546     543    -597     600       9     546     543     597     603       3
     543     549     558     561      15     543     549     558     564      15
     543     597     603     606       2     540     537     543     546       3
     540     537     543     549       3     540     537     543     597       3
     537     543     549     552      12     537     543     549     555      12
     672     669     675     678       1     672     669    -675     678       2
     669     675     681     684       3     657     651     648     660      27
     654     651     648     660      27     651     648     660     663      27
     651     648     660     666      27     645     642     648     651      27
     645     642     648     660      27     642     648     651     654      27
     642     648     651     657      27     642     648     660     663      27
     642     648     660     666      27     639     633     642     645      23
     639     633     642     648      23     636     633     642     645      23
     636     633     642     648      23     630     624     633     636      12
     630     624     633     639      12     630     624     633     642      12
     627     624     633     636      12     627     624     633     639      12
     627     624     633     642      12     624     633     642     645      23
     621     615     609     669      12     621     615     624     627      16
     621     615     624     630      16     621     615     624     633      15
     618     615     609     669      12     618     615     624     627      16
     618     615     624     630      16     618     615     624     633      15
     615     624     633     636      12     615     624     633     639      12
     612     609     615     618      12     612     609     615     621      12
     612     609     615     624      12     612     609     669     672       7
     612     609    -669     672       3     612     609    -669     672       9
     612     609     669     675       3     609     615     624     627      15
     609     615     624     630      15     609     669     675     678       2
     606     603     609     612       3     606     603     609     615       3
     606     603     609     669       3     603     609     615     618      12
     603     609     615     621      12     723     720     726     729       1
     723     720    -726     729       2     720     726     732     735       3
     711     708     714     717      28     705     702     708     711      29
     705     702     708     714      29     702     708     714     717      28
     699     696     714     717      30     699     702     708     711      29
     696     699     702     705      31     696     714     708     711      28
     693     687     681     720      12     693     687     696     699       3
     693     687     696     714       3     690     687     681     720      12
     690     687     696     699       3     690     687     696     714       3
     687     696     714     717      30     684     681     687     690      12
     684     681     687     693      12     684     681     687     696      12
     684     681     720     723       7     684     681    -720     723       3
     684     681    -720     723       9     684     681     720     726       3
     681     720     726     729       2     678     675     681     684       3
     678     675     681     687       3     678     675     681     720       3
     675     681     687     690      12     675     681     687     693      12
     795     792     798     801       1     795     792    -798     801       2
     792     798     804     807       3     780     777     783     786      20
     780     777     783     789      20     774     771     777     780      20
     774     771     777     783      20     771     777     783     786      20
     768     765     762     789      20     768     765     771     774      20
     768     765     771     777      20     765     771     777     780      20
     762     765     771     774      20     762     789     783     786      33
     759     756     762     765      34     759     756     762     789      34
     756     762     765     768      20     753     750     747     789      35
     753     750     756     759      28     753     750     756     762      28
     747     750     756     759      28     747     789     783     786      33
     744     738     732     792      12     744     738     747     750       3
     744     738     747     789       3     741     738     732     792      12
     741     738     747     750       3     741     738     747     789       3
     738     747     750     753      35     735     732     738     741      12
     735     732     738     744      12     735     732     738     747      12
     735     732     792     795       7     735     732    -792     795       3
     735     732    -792     795       9     735     732     792     798       3
     732     792     798     801       2     729     726     732     735       3
     729     726     732     738       3     729     726     732     792       3
     726     732     738     741      12     726     732     738     744      12
     831     828     834     837       1     831     828    -834     837       2
     828     834     840     843       3     816     810     804     828      12
     816     810     819     822       3     816     810     819     825       3
     813     810     804     828      12     813     810     819     822       3
     813     810     819     825       3     807     804     810     813      12
     807     804     810     816      12     807     804     810     819      12
     807     804     828     831       7     807     804    -828     831       3
     807     804    -828     831       9     807     804     828     834       3
     804     828     834     837       2     801     798     804     807       3
     801     798     804     810       3     801     798     804     828       3
     798     804     810     813      12     798     804     810     816      12
     876     873     879     882       1     876     873    -879     882       2
     873     879     885     888       3     861     855     864     867       3
     861     855     864     870       3     858     855     864     867       3
     858     855     864     870       3     852     846     840     873      12
     852     846     855     858      16     852     846     855     861      16
     852     846     855     864      12     849     846     840     873      12
     849     846     855     858      16     849     846     855     861      16
     849     846     855     864      12     843     840     846     849      12
     843     840     846     852      12     843     840     846     855      12
     843     840     873     876       7     843     840    -873     876       3
     843     840    -873     876       9     843     840     873     879       3
     840     846     855     858      15     840     846     855     861      15
     840     873     879     882       2     837     834     840     843       3
     837     834     840     846       3     837     834     840     873       3
     834     840     846     849      12     834     840     846     852      12
     918     915     921     924       1     918     915    -921     924       2
     915     921     927     930       3     903     900     906     909       1
     903     900    -906     909       2     903     900     906     912       1
     903     900    -906     912       2     897     891     885     915      12
     897     891     900     903       7     897     891    -900     903       3
     897     891    -900     903       9     897     891     900     906       3
     894     891     885     915      12     894     891     900     903       7
     894     891    -900     903       3     894     891    -900     903       9
     894     891     900     906       3     891     900     906     909       2
     891     900     906     912       2     888     885     891     894      12
     888     885     891     897      12     888     885     891     900      12
     888     885     915     918       7     888     885    -915     918       3
     888     885    -915     918       9     888     885     915     921       3
     885     915     921     924       2     882     879     885     888       3
     882     879     885     891       3     882     879     885     915       3
     879     885     891     894      12     879     885     891     897      12
     954     951     957     960       1     954     951    -957     960       2
     954     951     957     963       1     954     951    -957     963       2
     948     942     951     954       7     948     942    -951     954       3
     948     942    -951     954       9     948     942     951     957       3
     945     942     951     954       7     945     942    -951     954       3
     945     942    -951     954       9     945     942     951     957       3
     942     951     957     960       2     942     951     957     963       2
     939     933     927     966      12     939     933     942     945      16
     939     933     942     948      16     939     933     942     951      12
     936     933     927     966      12     936     933     942     945      16
     936     933     942     948      16     936     933     942     951      12
     930     927     933     936      12     930     927     933     939      12
     930     927     933     942      12     930     927     966     969       7
     930     927    -966     969       3     930     927    -966     969       9
     927     933     942     945      15     927     933     942     948      15
     924     921     927     930       3     924     921     927     933       3
     924     921     927     966       3     921     927     933     936      12
     921     927     933     939      12      15      27     -21     -24      38
      45      57     -51     -54      38      93     105     -99    -102      38
     150     162    -156    -159      38     234     255    -261    -264      38
     249     261    -255    -258      38     243     255    -249    -252      38
     237     249    -243    -246      38     234     243    -237    -240      38
     207     219    -213    -216      38     309     321    -315    -318      38
     342     354    -348    -351      38     411     435    -441    -444      38
     426     441    -435    -438      38     414     426    -420    -423      38
     411     420    -414    -417      38     384     396    -390    -393      38
     447     459    -453    -456      38     480     492    -486    -489      38
     531     543    -537    -540      38     648     663    -660    -666      39
     648     654    -651    -657      39     633     648    -642    -645      39
     597     609    -603    -606      38     696     708    -714    -717      38
     702     714    -708    -711      39     699     708    -702    -705      38
     669     681    -675    -678      38     777     789    -783    -786      38
     771     783    -777    -780      38     765     777    -771    -774      38
     762     771    -765    -768      38     750     762    -756    -759      39
     747     756    -750    -753      38     720     732    -726    -729      38
     792     804    -798    -801      38     828     840    -834    -837      38
     900     909    -906    -912      39     873     885    -879    -882      38
     951     960    -957    -963      39     915     927    -921    -924      38
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      18      15      21      27       2      15      21      27      33       4
      15      21     -27      33       3      15      21     -27      33       5
      15      21     -27      33       6      15      21      27      45       7
      15      21     -27      45       8       6      15      21      27       2
       0       6      15      18       3       0       6      15      21      10
       0       6     -15      21      11      48      45      51      57       2
      45      51      57      63       4      45      51     -57      63       3
      45      51     -57      63       5      45      51     -57      63       6
      45      51      57      93       7      45      51     -57      93       8
      33      27      45      48       3      33      27      45      51      13
      33      27     -45      51      14      27      45      51      57       2
      21      27      45      48       3      21      27      45      51      10
      21      27     -45      51      11      96      93      99     105       2
      93      99     105     111       4      93      99    -105     111       3
      93      99    -105     111       5      93      99    -105     111       6
      93      99     105     150       7      93      99    -105     150       8
      81      63      57      93      12      69      63      57      93      12
      63      57      93      96       3      63      57      93      99      13
      63      57     -93      99      14      57      93      99     105       2
      51      57      63      69      12      51      57      63      81      12
      51      57      93      96       3      51      57      93      99      10
      51      57     -93      99      11     153     150     156     162       2
     150     156     162     168       4     150     156    -162     168       3
     150     156    -162     168       5     150     156    -162     168       6
     150     156     162     207       7     150     156    -162     207       8
     120     111     105     150      12     111     105     150     153       3
     111     105     150     156      13     111     105    -150     156      14
     105     111     120     126      17     105     111    -120     126      18
     105     111    -120     126      19     105     111     120     138      17
     105     111    -120     138      18     105     111    -120     138      19
     105     150     156     162       2      99     105     111     120      12
      99     105     150     153       3      99     105     150     156      10
      99     105    -150     156      11     210     207     213     219       2
     207     213     219     225       4     207     213    -219     225       3
     207     213    -219     225       5     207     213    -219     225       6
     207     213     219     267       7     207     213    -219     267       8
     186     168     162     207      12     174     168     162     207      12
     174     168     186     195      17     174     168    -186     195      18
     174     168    -186     195      19     168     162     207     210       3
     168     162     207     213      13     168     162    -207     213      14
     162     168     186     195      17     162     168    -186     195      18
     162     168    -186     195      19     162     207     213     219       2
     156     162     168     174      12     156     162     168     186      12
     156     162     207     210       3     156     162     207     213      10
     156     162    -207     213      11     270     267     273     276       2
     270     267     273     303       2     267     273     276     285       4
     267     273    -276     285       3     267     273    -276     285       5
     267     273    -276     285       6     267     273     303     294       4
     267     273    -303     294       3     267     273    -303     294       5
     267     273    -303     294       6     267     273     303     309       7
     267     273    -303     309       8     243     237     234     261      20
     243     249    -255     261      20     237     234     261     255      20
     237     243    -249     255      20     234     225     219     267      12
     234     237     243     249      20     234     261    -255     249      20
     225     219     267     270       3     225     219     267     273      13
     225     219    -267     273      14     225     234     237     243      20
     225     234     261     255      20     219     225     234     237       3
     219     225     234     261       3     219     267     273     276       2
     219     267     273     303       2     213     219     225     234      12
     213     219     267     270       3     213     219     267     273      10
     213     219    -267     273      11     312     309     315     321       2
     309     315     321     327       4     309     315    -321     327       3
     309     315    -321     327       5     309     315    -321     327       6
     309     315     321     342       7     309     315    -321     342       8
     303     309     315     321       2     294     303     309     312       3
     294     303     309     315      13     294     303    -309     315      14
     285     276    -273     303       3     285     294     303     309      12
     276     273    -303     294       3     276     273     303     309       3
     276     285    -294     303      17     276     285    -294     303      18
     276     285    -294     303      19     273     276    -285     294      12
     273     303    -294     285      12     273     303     309     312       3
     273     303     309     315      10     273     303    -309     315      11
     345     342     348     354       2     342     348     354     360       4
     342     348    -354     360       3     342     348    -354     360       5
     342     348    -354     360       6     342     348     354     384       7
     342     348    -354     384       8     336     327     321     342      12
     327     321     342     345       3     327     321     342     348      13
     327     321    -342     348      14     321     342     348     354       2
     315     321     327     336      12     315     321     342     345       3
     315     321     342     348      10     315     321    -342     348      11
     387     384     390     396       2     384     390     396     402       4
     384     390    -396     402       3     384     390    -396     402       5
     384     390    -396     402       6     384     390     396     447       7
     384     390    -396     447       8     378     360     354     384      12
     366     360     354     384      12     360     354     384     387       3
     360     354     384     390      13     360     354    -384     390      14
     354     384     390     396       2     348     354     360     366      12
     348     354     360     378      12     348     354     384     387       3
     348     354     384     390      10     348     354    -384     390      11
     450     447     453     459       2     447     453     459     465       4
     447     453    -459     465       3     447     453    -459     465       5
     447     453    -459     465       6     447     453     459     480       7
     447     453    -459     480       8     429     426     435     441      20
     420     414     411     441      20     420     426    -435     441      20
     414     411     441     435      20     414     420     426     429      20
     414     420    -426     435      20     411     402     396     447      12
     411     414     420     426      20     411     441    -435     426      20
     402     396     447     450       3     402     396     447     453      13
     402     396    -447     453      14     402     411     414     420      20
     402     411     441     435      20     396     402     411     414       3
     396     402     411     441       3     396     447     453     459       2
     390     396     402     411      12     390     396     447     450       3
     390     396     447     453      10     390     396    -447     453      11
     483     480     486     492       2     480     486     492     498       4
     480     486    -492     498       3     480     486    -492     498       5
     480     486    -492     498       6     480     486     492     531       7
     480     486    -492     531       8     474     465     459     480      12
     465     459     480     483       3     465     459     480     486      13
     465     459    -480     486      14     459     480     486     492       2
     453     459     465     474      12     453     459     480     483       3
     453     459     480     486      10     453     459    -480     486      11
     534     531     537     543       2     531     537     543     549       4
     531     537    -543     549       3     531     537    -543     549       5
     531     537    -543     549       6     531     537     543     597       7
     531     537    -543     597       8     507     498     492     531      12
     498     492     531     534       3     498     492     531     537      13
     498     492    -531     537      14     498     507     516     519      26
     492     498     507     516      12     492     531     537     543       2
     486     492     498     507      12     486     492     531     534       3
     486     492     531     537      10     486     492    -531     537      11
     600     597     603     609       2     597     603     609     615       4
     597     603    -609     615       3     597     603    -609     615       5
     597     603    -609     615       6     597     603     609     669       7
     597     603    -609     669       8     558     549     543     597      12
     558     567     576     585      12     549     543     597     600       3
     549     543     597     603      13     549     543    -597     603      14
     549     558     567     576      17     549     558    -567     576      18
     549     558    -567     576      19     543     549     558     567      17
     543     549    -558     567      18     543     549    -558     567      19
     543     597     603     609       2     537     543     549     558      12
     537     543     597     600       3     537     543     597     603      10
     537     543    -597     603      11     672     669     675     681       2
     669     675     681     687       4     669     675    -681     687       3
     669     675    -681     687       5     669     675    -681     687       6
     669     675     681     720       7     669     675    -681     720       8
     633     642     648     651      27     633     642     648     660      27
     624     615     609     669      12     624     633     642     648      23
     615     609     669     672       3     615     609     669     675      13
     615     609    -669     675      14     615     624     633     642      12
     609     615     624     633      17     609     615    -624     633      18
     609     615    -624     633      19     609     669     675     681       2
     603     609     615     624      12     603     609     669     672       3
     603     609     669     675      10     603     609    -669     675      11
     723     720     726     732       2     720     726     732     738       4
     720     726    -732     738       3     720     726    -732     738       5
     720     726    -732     738       6     720     726     732     792       7
     720     726    -732     792       8     702     699    -696     714      27
     699     696    -714     708      30     699     702    -708     714      29
     696     687     681     720      12     696     699    -702     708      31
     696     714    -708     702      28     687     681     720     723       3
     687     681     720     726      13     687     681    -720     726      14
     687     696     699     702      27     687     696     714     708      30
     681     687     696     699       3     681     687     696     714       3
     681     720     726     732       2     675     681     687     696      12
     675     681     720     723       3     675     681     720     726      10
     675     681    -720     726      11     795     792     798     804       2
     792     798     804     810       4     792     798    -804     810       3
     792     798    -804     810       5     792     798    -804     810       6
     792     798     804     828       7     792     798    -804     828       8
     771     765     762     789      20     771     777    -783     789      20
     765     762     789     783      32     765     771    -777     783      20
     762     765     771     777      20     762     789    -783     777      33
     756     750    -747     789      35     756     762     765     771      20
     756     762     789     783      32     750     747    -789     762      36
     750     747     789     783      36     750     756     762     765      34
     750     756    -762     789      34     747     738     732     792      12
     747     750    -756     762      28     747     789    -762     756      32
     747     789     762     765      32     747     789     783     777      33
     738     732     792     795       3     738     732     792     798      13
     738     732    -792     798      14     738     747     750     756      35
     738     747     789     762      36     738     747     789     783      36
     732     738     747     750       3     732     738     747     789       3
     732     792     798     804       2     726     732     738     747      12
     726     732     792     795       3     726     732     792     798      10
     726     732    -792     798      11     831     828     834     840       2
     828     834     840     846       4     828     834    -840     846       3
     828     834    -840     846       5     828     834    -840     846       6
     828     834     840     873       7     828     834    -840     873       8
     819     810     804     828      12     810     804     828     831       3
     810     804     828     834      13     810     804    -828     834      14
     804     810     819     822       3     804     810     819     825       3
     804     828     834     840       2     798     804     810     819      12
     798     804     828     831       3     798     804     828     834      10
     798     804    -828     834      11     876     873     879     885       2
     873     879     885     891       4     873     879    -885     891       3
     873     879    -885     891       5     873     879    -885     891       6
     873     879     885     915       7     873     879    -885     915       8
     855     846     840     873      12     846     840     873     876       3
     846     840     873     879      13     846     840    -873     879      14
     846     855     864     867       3     846     855     864     870       3
     840     846     855     864      12     840     873     879     885       2
     834     840     846     855      12     834     840     873     876       3
     834     840     873     879      10     834     840    -873     879      11
     918     915     921     927       2     915     921     927     933       4
     915     921    -927     933       3     915     921    -927     933       5
     915     921    -927     933       6     915     921     927     966       7
     915     921    -927     966       8     900     891     885     915      12
     891     885     915     918       3     891     885     915     921      13
     891     885    -915     921      14     885     891     900     903       3
     885     891     900     906      13     885     891    -900     906      14
     885     915     921     927       2     879     885     891     900      12
     879     885     915     918       3     879     885     915     921      10
     879     885    -915     921      11     942     933     927     966      12
     933     927     966     969       3     933     942     951     954       3
     933     942     951     957      13     933     942    -951     957      14
     927     933     942     951      12     921     927     933     942      12
     921     927     966     969       3       6      21     -15     -18      37
      27      51     -45     -48      37      57      99     -93     -96      37
     105     156    -150    -153      37     162     213    -207    -210      37
     219     273    -267    -270      37     237     261    -234    -225      38
     303     315    -309    -312      37     267     276    -273    -303      39
     321     348    -342    -345      37     354     390    -384    -387      37
     396     453    -447    -450      37     420     435    -426    -429      38
     414     441    -411    -402      38     459     486    -480    -483      37
     492     537    -531    -534      37     543     603    -597    -600      37
     609     675    -669    -672      37     642     651    -648    -660      37
     681     726    -720    -723      37     687     714    -696    -699      38
     732     798    -792    -795      37     789     738    -747    -750      38
     804     834    -828    -831      37     810     822    -819    -825      37
     840     879    -873    -876      37     855     867    -864    -870      37
     885     921    -915    -918      37     891     906    -900    -903      37
     942     957    -951    -954      37
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       3       4       5
       6       4       5       6       7       8       9      10       5       6
       7       8       6       7       8       7       8       9      10      11
      12      16       8       9      10       9      10      11      12      13
      14      15      16      17      18      10      11      12      16      11
      12      13      14      15      16      17      18      19      20      12
      13      14      15      16      17      18      13      14      15      16
      17      18      14      15      16      15      16      16      17      18
      19      20      21      22      32      18      19      20      19      20
      21      22      23      24      28      32      33      34      20      21
      22      32      21      22      23      24      25      26      27      28
      29      30      31      32      33      34      35      36      22      23
      24      28      32      33      34      23      24      25      26      27
      28      29      30      31      32      33      34      24      25      26
      27      28      29      30      31      32      25      26      27      28
      29      30      31      32      26      27      28      27      28      28
      29      30      31      32      30      31      31       0      33      34
      35      36      37      38      51      34      35      36      35      36
      37      38      39      40      41      51      52      53      36      37
      38      51      37      38      39      40      41      42      43      47
      51      52      53      54      55      38      39      40      41      51
      52      53      39      40      41      42      43      44      45      46
      47      48      49      50      51      52      53      40      41      42
      43      47      51      41      42      43      47      51      42      43
      44      45      46      47      48      49      50      51      43      44
      45      46      47      48      49      50      44      45      46      47
      48      49      50      45      46      47      46      47      47      48
      49      50      49      50      50       0      52      53      54      55
      56      57      70      53      54      55      54      55      56      57
      58      59      63      70      71      72      55      56      57      70
      56      57      58      59      60      61      62      63      64      65
      66      70      71      72      73      74      57      58      59      63
      70      71      72      58      59      60      61      62      63      64
      65      66      67      68      69      70      71      72      59      60
      61      62      63      64      65      66      70      60      61      62
      63      64      65      66      70      61      62      63      62      63
      63      64      65      66      67      68      69      70      65      66
      67      68      69      66      67      68      69      67      68      69
      68      69      69       0      71      72      73      74      75      76
      90      72      73      74      73      74      75      76      77      78
      79      90      91      92      74      75      76      90      75      76
      77      78      79      80      88      90      91      92      93     102
      76      77      78      79      90      91      92      77      78      79
      80      81      82      86      88      89      90      91      92      78
      79      80      88      90      79      80      88      90      80      81
      82      83      84      86      87      88      89      90      81      82
      83      84      85      86      88      89      82      83      84      88
      83      84      85      86      87      88      84      85      86      85
      86      87      88      89      86      87      88      87      88      89
      88      89      89       0      91      92      93      94      95      96
      99     102     103     104      92      93     102      93      94      95
      96      97      98      99     100     101     102     103     104     105
     106      94      95      96      97      98      99     100     101     102
     103     104      95      96      97      98      99     102      96      97
      98      99     102      97      98      99     100     101     102     103
     104      98      99     100     101     102      99     100     101     102
     100     101     102     103     104     105     106     101     102     103
     104     102     103     104     103     104     105     106     107     108
     104     105     106     105     106     107     108     109     110     115
     106     107     108     107     108     109     110     111     112     113
     115     116     117     108     109     110     115     109     110     111
     112     113     114     115     116     117     118     119     110     111
     112     113     115     116     117     111     112     113     114     115
     116     117     112     113     114     115     113     114     115     114
     115       0     116     117     118     119     120     121     129     117
     118     119     118     119     120     121     122     123     127     129
     130     131     119     120     121     129     120     121     122     123
     124     125     126     127     128     129     130     131     132     133
     121     122     123     127     129     130     131     122     123     124
     125     126     127     128     129     130     131     123     124     125
     126     127     128     129     124     125     126     127     128     129
     125     126     127     126     127     127     128     129       0     130
     131     132     133     134     135     150     131     132     133     132
     133     134     135     136     137     138     150     151     152     133
     134     135     150     134     135     136     137     138     139     148
     150     151     152     153     154     135     136     137     138     150
     151     152     136     137     138     139     140     141     146     148
     149     150     151     152     137     138     139     148     150     138
     139     148     150     139     140     141     142     143     146     147
     148     149     150     140     141     142     143     144     146     148
     149     141     142     143     148     142     143     144     145     146
     147     148     143     144     146     144     145     146     147     148
     149     145     146     147     148     146     147     148     149     148
     149     149       0     151     152     153     154     155     156     161
     152     153     154     153     154     155     156     157     158     159
     161     162     163     154     155     156     161     155     156     157
     158     159     160     161     162     163     164     165     156     157
     158     159     161     162     163     157     158     159     160     161
     162     163     158     159     160     161     159     160     161     160
     161       0     162     163     164     165     166     167     178     163
     164     165     164     165     166     167     168     169     170     178
     179     180     165     166     167     178     166     167     168     169
     170     171     172     173     178     179     180     181     182     167
     168     169     170     178     179     180     168     169     170     171
     172     173     174     178     179     180     169     170     171     172
     173     178     170     171     172     173     178     171     172     173
     174     175     176     177     178     172     173     174     173     174
     174     175     176     177     175     176     177     176     177     177
       0     179     180     181     182     183     184     200     180     181
     182     181     182     183     184     185     186     187     200     201
     202     182     183     184     200     183     184     185     186     187
     188     189     190     200     201     202     203     204     184     185
     186     187     200     201     202     185     186     187     188     189
     190     191     192     193     200     201     202     186     187     188
     189     190     200     187     188     189     190     200     188     189
     190     191     192     193     194     195     196     200     189     190
     191     192     193     190     191     192     193     191     192     193
     194     195     196     197     198     199     192     193     194     195
     196     193     194     195     196     194     195     196     197     198
     199     195     196     197     198     199     196     197     198     199
     197     198     199     198     199     199       0     201     202     203
     204     205     206     224     202     203     204     203     204     205
     206     207     208     209     224     225     226     204     205     206
     224     205     206     207     208     209     210     211     212     224
     225     226     227     228     206     207     208     209     224     225
     226     207     208     209     210     211     212     213     214     215
     224     225     226     208     209     210     211     212     224     209
     210     211     212     224     210     211     212     213     214     215
     216     217     224     211     212     213     214     215     212     213
     214     215     213     214     215     216     217     218     221     214
     215     216     217     215     216     217     216     217     218     219
     220     221     222     223     217     218     221     218     219     220
     221     222     223     219     220     221     222     223     220     221
     221     222     223     223       0     225     226     227     228     229
     230     241     226     227     228     227     228     229     230     231
     232     233     241     242     243     228     229     230     241     229
     230     231     232     233     234     239     241     242     243     244
     245     230     231     232     233     241     242     243     231     232
     233     234     235     237     239     240     241     242     243     232
     233     234     239     241     233     234     239     241     234     235
     236     237     238     239     240     241     235     236     237     238
     239     240     236     237     238     239     240     237     238     239
     238     239     240     239     240     240       0     242     243     244
     245     246     247     265     243     244     245     244     245     246
     247     248     249     250     265     266     267     245     246     247
     265     246     247     248     249     250     251     264     265     266
     267     268     269     247     248     249     250     265     266     267
     248     249     250     251     252     253     255     262     264     265
     266     267     249     250     251     264     265     250     251     264
     265     251     252     253     254     255     256     260     262     263
     264     265     252     253     254     255     256     262     264     253
     254     255     264     254     255     256     257     258     262     264
     255     256     264     256     257     258     259     260     262     263
     264     257     258     259     260     261     262     264     258     259
     260     264     259     260     261     262     263     264     260     261
     262     261     262     263     264     262     263     264     263     264
     264       0     266     267     268     269     270     271     277     267
     268     269     268     269     270     271     272     273     274     277
     278     279     269     270     271     277     270     271     272     273
     274     275     276     277     278     279     280     281     271     272
     273     274     277     278     279     272     273     274     275     276
     277     278     279     273     274     275     276     277     274     275
     276     277     275     276     277     276       0     278     279     280
     281     282     283     292     279     280     281     280     281     282
     283     284     285     286     292     293     294     281     282     283
     292     282     283     284     285     286     287     288     289     292
     293     294     295     296     283     284     285     286     292     293
     294     284     285     286     287     288     289     290     291     292
     293     294     285     286     287     288     289     292     286     287
     288     289     292     287     288     289     290     291     292     288
     289     290     291     289     290     291     290     291     291       0
     293     294     295     296     297     298     306     294     295     296
     295     296     297     298     299     300     301     306     307     308
     296     297     298     306     297     298     299     300     301     302
     303     306     307     308     309     310     298     299     300     301
     306     307     308     299     300     301     302     303     304     305
     306     307     308     300     301     302     303     306     301     302
     303     306     302     303     304     305     306     303     304     305
     304     305     305       0     307     308     309     310     311     312
     323     308     309     310     309     310     311     312     313     314
     315     323     324     310     311     312     323     311     312     313
     314     315     316     317     318     323     324     312     313     314
     315     323     324     313     314     315     316     317     318     319
     320     323     324     314     315     316     317     318     323     315
     316     317     318     323     316     317     318     319     320     321
     322     323     317     318     319     320     318     319     320     319
     320     321     322     320     321     322     321     322     322       0
     324       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
N   H   CT  H1  H1  C   O   N   H   CT  H1  CT  HC  HC  HC  C   O   N   H   CT  
H1  CT  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  
CT  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  CT  HC  
HC  HC  CT  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  CA  CA  
HA  CA  HA  CA  HA  CA  HA  CA  HA  C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  
HC  CT  H1  C   O   N   H   CT  H1  CT  H1  H1  OH  HO  C   O   N   H   CT  H1  
CT  H1  CT  HC  HC  HC  OH  HO  C   O   N   H   CT  H1  CT  HC  HC  CA  CA  HA  
CA  HA  C   OH  HO  CA  HA  CA  HA  C   O   N   H   CT  H1  CT  H1  H1  SH  HS  
C   O   N   H   CT  H1  CT  HC  HC  CT  H1  H1  S   CT  H1  H1  H1  C   O   N   
H   CT  H1  CT  HC  HC  CT  HC  HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   
O   N   H   CT  H1  CT  HC  HC  CT  HC  HC  CT  H1  H1  N2  H   CA  N2  H   H   
N2  H   H   C   O   N   H   CT  H1  CT  HC  HC  CC  NB  CR  H5  NA  H   CW  H4  
C   O   N   H   CT  H1  CT  HC  HC  C*  CW  H4  NA  H   CN  CA  HA  CA  HA  CA  
HA  CA  HA  CB  C   O   N   H   CT  H1  CT  HC  HC  C   O2  O2  C   O   N   H   
CT  H1  CT  HC  HC  CT  HC  HC  C   O2  O2  C   O   N   H   CT  H1  CT  HC  HC  
C   O   N   H   H   C   O   N   H   CT  H1  CT  HC  HC  CT  HC  HC  C   O   N   
H   H   C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   E   M   E   E   M   E   M   E   M   E   3   E   E   E   M   E   M   E   M   
E   3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   E   E   
3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   E   3   E   
E   E   3   E   E   3   E   E   E   M   E   M   E   M   E   3   E   E   B   B   
E   B   E   B   E   S   E   S   E   M   E   M   3   E   E   3   E   E   B   E   
E   M   E   M   E   M   E   M   E   3   E   E   S   E   M   E   M   E   M   E   
3   E   3   E   E   E   S   E   M   E   M   E   M   E   3   E   E   B   B   E   
B   E   B   S   E   S   E   S   E   M   E   M   E   M   E   3   E   E   S   E   
M   E   M   E   M   E   3   E   E   3   E   E   S   3   E   E   E   M   E   M   
E   M   E   3   E   E   3   E   E   3   E   E   3   E   E   3   E   E   E   M   
E   M   E   M   E   3   E   E   3   E   E   3   E   E   B   E   B   B   E   E   
B   E   E   M   E   M   E   M   E   3   E   E   B   E   S   E   B   E   B   E   
M   E   M   E   M   E   3   E   E   B   B   E   B   E   S   B   E   B   E   B   
E   S   E   E   M   E   M   E   M   E   3   E   E   B   E   E   M   E   M   E   
M   E   3   E   E   3   E   E   B   E   E   M   E   M   E   M   E   3   E   E   
B   E   B   E   E   M   E   M   E   M   E   3   E   E   3   E   E   B   E   B   
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
%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
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  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  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+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  1.70000000E+00  1.30000000E+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  1.30000000E+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  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+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
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+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  1.50000000E+00  8.00000000E-01  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  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  1.70000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00  8.00000000E-01
  1.70000000E+00  1.30000000E+00  1.70000000E+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  1.80000000E+00  8.00000000E-01
  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  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.80000000E+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  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.55000000E+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
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.55000000E+00
  1.30000000E+00  1.70000000E+00  1.55000000E+00  1.30000000E+00  1.30000000E+00
  1.55000000E+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  1.70000000E+00  1.55000000E+00  1.70000000E+00
  1.30000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+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  1.70000000E+00
  1.70000000E+00  1.30000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+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  1.70000000E+00  1.50000000E+00
  1.50000000E+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
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.50000000E+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
  1.70000000E+00  1.50000000E+00  1.55000000E+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  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  9.60000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  9.60000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
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%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
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