File: tz2.parm7

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%VERSION  VERSION_STAMP = V0001.000  DATE = 12/03/01  13:16:16                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
                                                                                
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
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       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
N   H1  H2  H3  CA  HA  CB  HB2 HB3 OG  HG  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  HB  CG2 HG21HG22HG23OG1 HG1 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  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 
HD21HD22C   O   N   H   CA  HA2 HA3 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  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C   O   N   H   CA  
HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 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  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CH3 
HH31HH32HH33
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
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%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
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%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       2       2       3       4       3       5       5       6
       7       8       9       1       2       3       5       3      10      10
       8       8      11       1       2       8       8      12       8      12
       8      12       8      12       8       8       9       1       2       3
       5       3       5       3      10      10      10       6       7       8
       9       1       2       3       5       3      10      10       8       8
      11       1       2       8       8      12       8      12       8      12
       8      12       8       8       9       1       2       3       5       3
      10      10       3      10      10       8       9       9       8       9
       1       2       3       5       3      10      10       8       9       1
       2       2       8       9       1       2       3       5       5       8
       9       1       2       3       5       3      10      10       3      10
      10       3      10      10       3       4       4       1       2       2
       2       8       9       1       2       3       5       3      10      10
       8       8      11       1       2       8       8      12       8      12
       8      12       8      12       8       8       9       1       2       3
       5       3       5       3      10      10      10       6       7       8
       9       1       2       3       5       3      10      10       8       8
      11       1       2       8       8      12       8      12       8      12
       8      12       8       8       9       1       2       3       5       3
      10      10       3      10      10       3      10      10       3       4
       4       1       2       2       2       8       9       1       2       3
       5       5       5
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
      12       6       5       4      11       7       7       4       3       2
       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      14
       7      10       7       6       3       2       1       2       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      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       7       4       7       4       3       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      12       7      12       5       4
      11       7       4       7       3       8       7       4       6       3
       4       3       2       1       1       7       3      10       4      14
       7      10       7       6       3       2       1       2       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      13       7      12
       6       5      10       5       4       9       5       4       6       5
       4       3       2       1       1       7       3       5       4       3
       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37      46
      56      67       2       3       5       8      12      17      23      30
      38      47      57      68       4       5       6       9      13      18
      24      31      39      48      58      69       7       8       9      10
      14      19      25      32      40      49      59      70      11      12
      13      14      15      20      26      33      41      50      60      71
      16      17      18      19      20      21      27      34      42      51
      61      72      22      23      24      25      26      27      28      35
      43      52      62      73      29      30      31      32      33      34
      35      36      44      53      63      74      37      38      39      40
      41      42      43      44      45      54      64      75      46      47
      48      49      50      51      52      53      54      55      65      76
      56      57      58      59      60      61      62      63      64      65
      66      77      67      68      69      70      71      72      73      74
      75      76      77      78
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
SER TRP THR TRP GLU ASN GLY LYS TRP THR TRP LYS NME 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1      14      38      52      76      91     105     112     134     158
     172     196     218
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+02  5.53000000E+02  3.40000000E+02  3.20000000E+02
  3.40000000E+02  3.10000000E+02  3.17000000E+02  4.34000000E+02  3.67000000E+02
  3.67000000E+02  4.69000000E+02  4.69000000E+02  4.69000000E+02  4.47000000E+02
  4.34000000E+02  4.28000000E+02  3.67000000E+02  4.27000000E+02  5.46000000E+02
  3.88000000E+02  3.40000000E+02  3.17000000E+02  4.34000000E+02  3.37000000E+02
  6.56000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
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  1.45900000E+00  1.09000000E+00  1.49500000E+00  1.01000000E+00  1.44900000E+00
  1.25000000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  8.00000000E+01  3.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01
  6.30000000E+01  5.50000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
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  5.00000000E+01  8.00000000E+01  8.00000000E+01  3.50000000E+01  3.50000000E+01
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  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  3.00000000E+01
  5.00000000E+01  8.00000000E+01  6.30000000E+01  4.00000000E+01  8.00000000E+01
  5.00000000E+01  7.00000000E+01  3.50000000E+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
  1.93906163E+00  1.89368305E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  2.10137732E+00  2.03505478E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.94080696E+00  1.94080696E+00  2.09439600E+00  2.09439600E+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  2.09439600E+00
  1.85703112E+00  2.09439600E+00  1.94778828E+00  2.09439600E+00  1.89717371E+00
  1.89891904E+00  2.35445017E+00  1.91113635E+00  1.91113635E+00  2.18166250E+00
  2.24449438E+00  1.91113635E+00  1.91113635E+00  2.01760148E+00  2.06018753E+00
  1.91113635E+00  1.91462701E+00  1.92160833E+00  1.91113635E+00  2.19911580E+00
  1.91113635E+00  2.04203610E+00  2.09439600E+00  1.91113635E+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  2.00000000E-01  1.55555556E-01  1.66666667E-01  7.00000000E-02
  1.00000000E-01  3.62500000E+00  3.00000000E+00  3.50000000E+00  1.52500000E+00
  6.52500000E+00  1.50000000E+00  1.67500000E+00  7.50000000E-01  1.35000000E+00
  4.00000000E-01  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  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00
  4.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00
  4.00000000E+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  3.14159400E+00  0.00000000E+00  0.00000000E+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 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
%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  2.01791425E+04  9.14716912E+00  2.27401052E+04  2.01823541E+02
  6.20665997E+04  5.94667300E+01  6.78771368E+04  8.79040886E+02  3.25969625E+03
  7.44975864E+05  1.40467023E+03  7.91544157E+05  1.45985502E+04  4.66922514E+04
  5.81803229E+05  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  8.82619071E+05  2.27577561E+03
  9.24822270E+05  2.01619733E+04  6.01816484E+04  7.01803794E+05  0.00000000E+00
  8.19971662E+05  6.06829342E+05  1.02595236E+03  6.47841731E+05  1.12780457E+04
  3.69471530E+04  4.71003287E+05  0.00000000E+00  5.74393458E+05  3.79876399E+05
  8.96776989E+04  1.07193646E+02  9.71708117E+04  1.41077189E+03  4.98586848E+03
  6.82786631E+04  0.00000000E+00  8.61541883E+04  5.44261042E+04  7.51607703E+03
  6.58473870E+04  6.63368273E+01  7.18621074E+04  9.55000044E+02  3.50301067E+03
  4.96707306E+04  0.00000000E+00  6.37148278E+04  3.93690817E+04  5.34045360E+03
  3.76169105E+03  7.91627154E+04  8.90987508E+01  8.59947003E+04  1.21014911E+03
  4.33325458E+03  6.00750218E+04  0.00000000E+00  7.62451550E+04  4.77908183E+04
  6.55825601E+03  4.64559155E+03  5.71629601E+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  6.45756063E+01  7.57919667E-01  6.13981767E+01  3.56012899E+00
  1.13252061E+02  1.93248820E+00  1.06076943E+02  7.42992380E+00  1.43076527E+01
  7.50714425E+02  1.79702257E+01  6.93079947E+02  5.79323581E+01  1.03606917E+02
  6.99746810E+02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  6.53361429E+02  1.82891803E+01
  5.99015525E+02  5.44372326E+01  9.40505980E+01  6.14502845E+02  0.00000000E+00
  5.31102864E+02  6.77220874E+02  1.53505284E+01  6.26720080E+02  5.08951803E+01
  9.21192136E+01  6.29300710E+02  0.00000000E+00  5.55666448E+02  5.64885984E+02
  1.36131731E+02  2.59456373E+00  1.26919150E+02  9.41257003E+00  1.76949863E+01
  1.25287818E+02  0.00000000E+00  1.12529845E+02  1.11805549E+02  2.17257828E+01
  1.15327881E+02  2.01792524E+00  1.07908863E+02  7.65648470E+00  1.46638650E+01
  1.05648788E+02  0.00000000E+00  9.56748258E+01  9.40124296E+01  1.81057616E+01
  1.50233639E+01  1.26451907E+02  2.33864085E+00  1.18043746E+02  8.61880722E+00
  1.63092814E+01  1.16187983E+02  0.00000000E+00  1.04660679E+02  1.03580945E+02
  2.00642027E+01  1.66953734E+01  1.85196588E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
      27      30       3      18      21       4      18      24       4      12
      15       6       0       3       9       0       6       9       0       9
       9      96      99      11      90      93      11      84      87      11
      78      81      11      69      72      16      63      66      18      51
      54      22      51      57      22      45      48       4      39      42
      24     141     144       3     129     132      22     129     135      22
     129     138      22     123     126       4     117     120       4     111
     114      24     210     213      11     204     207      11     198     201
      11     192     195      11     183     186      16     177     180      18
     165     168      22     165     171      22     159     162       4     153
     156      24     246     249      22     246     252      22     237     240
      22     237     243      22     231     234       4     225     228      24
     297     300      24     297     303      24     282     285      22     282
     288      22     276     279       4     270     273      24     318     321
       4     318     324       4     312     315      24     381     384       9
     381     387       9     381     390       9     372     375       6     372
     378       6     363     366      22     363     369      22     354     357
      22     354     360      22     345     348      22     345     351      22
     339     342       4     333     336      24     456     459      11     450
     453      11     444     447      11     438     441      11     429     432
      16     423     426      18     411     414      22     411     417      22
     405     408       4     399     402      24     501     504       3     489
     492      22     489     495      22     489     498      22     483     486
       4     477     480       4     471     474      24     570     573      11
     564     567      11     558     561      11     552     555      11     543
     546      16     537     540      18     525     528      22     525     531
      22     519     522       4     513     516      24     633     636       9
     633     639       9     633     642       9     624     627       6     624
     630       6     615     618      22     615     621      22     606     609
      22     606     612      22     597     600      22     597     603      22
     591     594       4     585     588      24     657     660       4     657
     663       4     657     666       4     651     654      24
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      33      36       1      33      39       2      18      27       5      12
      18       7      12      33       8       0      12      10     105     108
       1     105     111       2      96     102      12      90      96      13
      84      90      13      78      84      13      75      78      14      75
     102      15      69      75      17      63      69      19      60      63
      20      60     102      21      51      60      23      45      51       7
      45     105       8      39      45      25     147     150       1     147
     153       2     123     129       7     123     141       5     117     123
       7     117     147       8     111     117      25     219     222       1
     219     225       2     210     216      12     204     210      13     198
     204      13     192     198      13     189     192      14     189     216
      15     183     189      17     177     183      19     174     177      20
     174     216      21     165     174      23     159     165       7     159
     219       8     153     159      25     264     267       1     264     270
       2     255     258      26     255     261      26     246     255       8
     237     246       7     231     237       7     231     264       8     225
     231      25     306     309       1     306     312       2     291     294
       1     291     297       2     282     291       8     276     282       7
     276     306       8     270     276      25     327     330       1     327
     333       2     318     327       8     312     318      25     393     396
       1     393     399       2     372     381      10     363     372       7
     354     363       7     345     354       7     339     345       7     339
     393       8     333     339      25     465     468       1     465     471
       2     456     462      12     450     456      13     444     450      13
     438     444      13     435     438      14     435     462      15     429
     435      17     423     429      19     420     423      20     420     462
      21     411     420      23     405     411       7     405     465       8
     399     405      25     507     510       1     507     513       2     483
     489       7     483     501       5     477     483       7     477     507
       8     471     477      25     579     582       1     579     585       2
     570     576      12     564     570      13     558     564      13     552
     558      13     549     552      14     549     576      15     543     549
      17     537     543      19     534     537      20     534     576      21
     525     534      23     519     525       7     519     579       8     513
     519      25     645     648       1     645     651       2     624     633
      10     615     624       7     606     615       7     597     606       7
     591     597       7     591     645       8     585     591      25     651
     657      25
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      33      39      42       2      24      18      27       4      21      18
      24       5      21      18      27       4      18      27      30       7
      15      12      18       8      15      12      33       9      12      18
      21      10      12      18      24      10       9       0      12      14
       6       0       9      15       6       0      12      14       3       0
       6      15       3       0       9      15       3       0      12      14
       0      12      15      16     105     111     114       2      99      96
     102      19      93      90      96      20      90      96      99      20
      87      84      90      20      84      90      93      20      81      78
      84      20      78      84      87      20      75      78      81      24
      72      69      75      27      66      63      69      30      63      69
      72      32      60      63      66      34      57      51      60      38
      54      51      57      39      54      51      60      38      48      45
      51      10      48      45     105      42      45      51      54      43
      45      51      57      43      42      39      45      45      39      45
      48      46     147     153     156       2     135     129     138      39
     132     129     135      39     132     129     138      39     126     123
     129      10     126     123     141       4     123     129     132      43
     123     129     135      43     123     129     138      43     123     141
     144       7     120     117     123      10     120     117     147      42
     117     123     126      10     114     111     117      45     111     117
     120      46     219     225     228       2     213     210     216      19
     207     204     210      20     204     210     213      20     201     198
     204      20     198     204     207      20     195     192     198      20
     192     198     201      20     189     192     195      24     186     183
     189      27     180     177     183      30     177     183     186      32
     174     177     180      34     171     165     174      38     168     165
     171      39     168     165     174      38     162     159     165      10
     162     159     219      42     159     165     168      43     159     165
     171      43     156     153     159      45     153     159     162      46
     264     270     273       2     252     246     255      51     249     246
     252      39     249     246     255      51     243     237     246      43
     240     237     243      39     240     237     246      43     237     246
     249      43     237     246     252      43     234     231     237      10
     234     231     264      42     231     237     240      43     231     237
     243      43     228     225     231      45     225     231     234      46
     306     312     315       2     300     297     303      53     291     297
     300       2     291     297     303       2     288     282     291      51
     285     282     288      39     285     282     291      51     279     276
     282      10     279     276     306      42     276     282     285      43
     276     282     288      43     273     270     276      45     270     276
     279      46     327     333     336       2     324     318     327      42
     321     318     324       5     321     318     327      42     315     312
     318      45     312     318     321      46     312     318     324      46
     393     399     402       2     387     381     390      15     384     381
     387      15     384     381     390      15     378     372     381      16
     375     372     378      54     375     372     381      16     372     381
     384      14     372     381     387      14     372     381     390      14
     369     363     372      43     366     363     369      39     366     363
     372      43     363     372     375       8     363     372     378       8
     360     354     363      43     357     354     360      39     357     354
     363      43     354     363     366      43     354     363     369      43
     351     345     354      43     348     345     351      39     348     345
     354      43     345     354     357      43     345     354     360      43
     342     339     345      10     342     339     393      42     339     345
     348      43     339     345     351      43     336     333     339      45
     333     339     342      46     465     471     474       2     459     456
     462      19     453     450     456      20     450     456     459      20
     447     444     450      20     444     450     453      20     441     438
     444      20     438     444     447      20     435     438     441      24
     432     429     435      27     426     423     429      30     423     429
     432      32     420     423     426      34     417     411     420      38
     414     411     417      39     414     411     420      38     408     405
     411      10     408     405     465      42     405     411     414      43
     405     411     417      43     402     399     405      45     399     405
     408      46     507     513     516       2     495     489     498      39
     492     489     495      39     492     489     498      39     486     483
     489      10     486     483     501       4     483     489     492      43
     483     489     495      43     483     489     498      43     483     501
     504       7     480     477     483      10     480     477     507      42
     477     483     486      10     474     471     477      45     471     477
     480      46     579     585     588       2     573     570     576      19
     567     564     570      20     564     570     573      20     561     558
     564      20     558     564     567      20     555     552     558      20
     552     558     561      20     549     552     555      24     546     543
     549      27     540     537     543      30     537     543     546      32
     534     537     540      34     531     525     534      38     528     525
     531      39     528     525     534      38     522     519     525      10
     522     519     579      42     519     525     528      43     519     525
     531      43     516     513     519      45     513     519     522      46
     645     651     654       2     639     633     642      15     636     633
     639      15     636     633     642      15     630     624     633      16
     627     624     630      54     627     624     633      16     624     633
     636      14     624     633     639      14     624     633     642      14
     621     615     624      43     618     615     621      39     618     615
     624      43     615     624     627       8     615     624     630       8
     612     606     615      43     609     606     612      39     609     606
     615      43     606     615     618      43     606     615     621      43
     603     597     606      43     600     597     603      39     600     597
     606      43     597     606     609      43     597     606     612      43
     594     591     597      10     594     591     645      42     591     597
     600      43     591     597     603      43     588     585     591      45
     585     591     594      46     663     657     666       5     660     657
     663       5     660     657     666       5     654     651     657      45
     651     657     660      46     651     657     663      46     651     657
     666      46
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      36      33      39       1      33      39      45       3      18      12
      33       6      12      18      27      11      12      33      36      12
      12      33      39      13       0      12      18      17       0      12
      33      18     108     105     111       1     105     111     117       3
      90      96     102      21      84      90      96      22      78      75
     102      23      78      84      90      22      75      78      84      25
      75     102      96      26      69      75      78      28      69      75
     102      29      63      60     102      31      63      69      75      33
      60      63      69      35      60     102      75      36      60     102
      96      37      51      45     105       6      51      60      63      40
      51      60     102      41      45      51      60      44      45     105
     108      12      45     105     111      13      39      45      51      47
      39      45     105      48     150     147     153       1     147     153
     159       3     129     123     141      11     123     117     147       6
     117     123     129      49     117     123     141      11     117     147
     150      12     117     147     153      13     111     117     123      47
     111     117     147      48     222     219     225       1     219     225
     231       3     204     210     216      21     198     204     210      22
     192     189     216      23     192     198     204      22     189     192
     198      25     189     216     210      26     183     189     192      28
     183     189     216      29     177     174     216      31     177     183
     189      33     174     177     183      35     174     216     189      36
     174     216     210      37     165     159     219       6     165     174
     177      40     165     174     216      41     159     165     174      44
     159     219     222      12     159     219     225      13     153     159
     165      47     153     159     219      48     267     264     270       1
     264     270     276       3     258     255     261      50     246     255
     258      52     246     255     261      52     237     231     264       6
     237     246     255       6     231     237     246      49     231     264
     267      12     231     264     270      13     225     231     237      47
     225     231     264      48     309     306     312       1     306     312
     318       3     294     291     297       1     282     276     306       6
     282     291     294      12     282     291     297      13     276     282
     291       6     276     306     309      12     276     306     312      13
     270     276     282      47     270     276     306      48     330     327
     333       1     327     333     339       3     318     327     330      12
     318     327     333      13     312     318     327      48     396     393
     399       1     393     399     405       3     363     372     381      17
     354     363     372      49     345     339     393       6     345     354
     363      49     339     345     354      49     339     393     396      12
     339     393     399      13     333     339     345      47     333     339
     393      48     468     465     471       1     465     471     477       3
     450     456     462      21     444     450     456      22     438     435
     462      23     438     444     450      22     435     438     444      25
     435     462     456      26     429     435     438      28     429     435
     462      29     423     420     462      31     423     429     435      33
     420     423     429      35     420     462     435      36     420     462
     456      37     411     405     465       6     411     420     423      40
     411     420     462      41     405     411     420      44     405     465
     468      12     405     465     471      13     399     405     411      47
     399     405     465      48     510     507     513       1     507     513
     519       3     489     483     501      11     483     477     507       6
     477     483     489      49     477     483     501      11     477     507
     510      12     477     507     513      13     471     477     483      47
     471     477     507      48     582     579     585       1     579     585
     591       3     564     570     576      21     558     564     570      22
     552     549     576      23     552     558     564      22     549     552
     558      25     549     576     570      26     543     549     552      28
     543     549     576      29     537     534     576      31     537     543
     549      33     534     537     543      35     534     576     549      36
     534     576     570      37     525     519     579       6     525     534
     537      40     525     534     576      41     519     525     534      44
     519     579     582      12     519     579     585      13     513     519
     525      47     513     519     579      48     648     645     651       1
     645     651     657       3     615     624     633      17     606     615
     624      49     597     591     645       6     597     606     615      49
     591     597     606      49     591     645     648      12     591     645
     651      13     585     591     597      47     585     591     645      48
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      36      33      39      42       1      36      33     -39      42       2
      33      39      45      48       3      24      18      12      33       8
      24      18      27      30       9      21      18      12      33       8
      21      18      27      30       9      15      12      18      21       8
      15      12      18      24       8      15      12      18      27       8
      15      12      33      36       3      15      12      33      39       3
      12      18      27      30       9      12      33      39      42       2
       9       0      12      15       8       9       0      12      18       8
       9       0      12      33       8       6       0      12      15       8
       6       0      12      18       8       6       0      12      33       8
       3       0      12      15       8       3       0      12      18       8
       3       0      12      33       8       0      12      18      21       8
       0      12      18      24       8     108     105     111     114       1
     108     105    -111     114       2     105     111     117     120       3
      93      90      96      99      12      93      90      96     102      12
      87      84      90      93      12      87      84      90      96      12
      84      90      96      99      12      81      78      75     102      12
      81      78      84      87      12      81      78      84      90      12
      78      84      90      93      12      75      78      84      87      12
      75     102      96      99      14      72      69      75      78      15
      72      69      75     102      15      69      75      78      81      12
      66      63      60     102      16      66      63      69      72      17
      66      63      69      75      17      60      63      69      72      17
      60     102      96      99      14      57      51      45     105       8
      57      51      60      63       3      57      51      60     102       3
      54      51      45     105       8      54      51      60      63       3
      54      51      60     102       3      51      60      63      66      16
      48      45      51      54       8      48      45      51      57       8
      48      45      51      60       8      48      45     105     108       3
      48      45     105     111       3      45     105     111     114       2
      42      39      45      48       3      42      39      45      51       3
      42      39      45     105       3      39      45      51      54       8
      39      45      51      57       8     150     147     153     156       1
     150     147    -153     156       2     147     153     159     162       3
     138     129     123     141       8     135     129     123     141       8
     132     129     123     141       8     129     123     141     144       9
     126     123     117     147       8     126     123     129     132       8
     126     123     129     135       8     126     123     129     138       8
     126     123     141     144       9     120     117     123     126       8
     120     117     123     129       8     120     117     123     141       8
     120     117     147     150       3     120     117     147     153       3
     117     123     129     132       8     117     123     129     135       8
     117     123     129     138       8     117     123     141     144       9
     117     147     153     156       2     114     111     117     120       3
     114     111     117     123       3     114     111     117     147       3
     111     117     123     126       8     222     219     225     228       1
     222     219    -225     228       2     219     225     231     234       3
     207     204     210     213      12     207     204     210     216      12
     201     198     204     207      12     201     198     204     210      12
     198     204     210     213      12     195     192     189     216      12
     195     192     198     201      12     195     192     198     204      12
     192     198     204     207      12     189     192     198     201      12
     189     216     210     213      14     186     183     189     192      15
     186     183     189     216      15     183     189     192     195      12
     180     177     174     216      16     180     177     183     186      17
     180     177     183     189      17     174     177     183     186      17
     174     216     210     213      14     171     165     159     219       8
     171     165     174     177       3     171     165     174     216       3
     168     165     159     219       8     168     165     174     177       3
     168     165     174     216       3     165     174     177     180      16
     162     159     165     168       8     162     159     165     171       8
     162     159     165     174       8     162     159     219     222       3
     162     159     219     225       3     159     219     225     228       2
     156     153     159     162       3     156     153     159     165       3
     156     153     159     219       3     153     159     165     168       8
     153     159     165     171       8     267     264     270     273       1
     267     264    -270     273       2     264     270     276     279       3
     252     246     255     258       3     252     246     255     261       3
     249     246     255     258       3     249     246     255     261       3
     243     237     231     264       8     243     237     246     249       8
     243     237     246     252       8     243     237     246     255       8
     240     237     231     264       8     240     237     246     249       8
     240     237     246     252       8     240     237     246     255       8
     234     231     237     240       8     234     231     237     243       8
     234     231     237     246       8     234     231     264     267       3
     234     231     264     270       3     231     237     246     249       8
     231     237     246     252       8     231     264     270     273       2
     228     225     231     234       3     228     225     231     237       3
     228     225     231     264       3     225     231     237     240       8
     225     231     237     243       8     309     306     312     315       1
     309     306    -312     315       2     306     312     318     321       3
     306     312     318     324       3     294     291     297     300       1
     294     291    -297     300       2     294     291     297     303       1
     294     291    -297     303       2     288     282     276     306       8
     288     282     291     294       3     288     282     291     297       3
     285     282     276     306       8     285     282     291     294       3
     285     282     291     297       3     282     291     297     300       2
     282     291     297     303       2     279     276     282     285       8
     279     276     282     288       8     279     276     282     291       8
     279     276     306     309       3     279     276     306     312       3
     276     306     312     315       2     273     270     276     279       3
     273     270     276     282       3     273     270     276     306       3
     270     276     282     285       8     270     276     282     288       8
     330     327     333     336       1     330     327    -333     336       2
     327     333     339     342       3     324     318     327     330       3
     324     318     327     333       3     321     318     327     330       3
     321     318     327     333       3     318     327     333     336       2
     315     312     318     321       3     315     312     318     324       3
     315     312     318     327       3     396     393     399     402       1
     396     393    -399     402       2     393     399     405     408       3
     378     372     381     384       8     378     372     381     387       8
     378     372     381     390       8     375     372     381     384       8
     375     372     381     387       8     375     372     381     390       8
     369     363     372     375       8     369     363     372     378       8
     369     363     372     381       8     366     363     372     375       8
     366     363     372     378       8     366     363     372     381       8
     363     372     381     384       8     363     372     381     387       8
     363     372     381     390       8     360     354     363     366       8
     360     354     363     369       8     360     354     363     372       8
     357     354     363     366       8     357     354     363     369       8
     357     354     363     372       8     354     363     372     375       8
     354     363     372     378       8     351     345     339     393       8
     351     345     354     357       8     351     345     354     360       8
     351     345     354     363       8     348     345     339     393       8
     348     345     354     357       8     348     345     354     360       8
     348     345     354     363       8     345     354     363     366       8
     345     354     363     369       8     342     339     345     348       8
     342     339     345     351       8     342     339     345     354       8
     342     339     393     396       3     342     339     393     399       3
     339     345     354     357       8     339     345     354     360       8
     339     393     399     402       2     336     333     339     342       3
     336     333     339     345       3     336     333     339     393       3
     333     339     345     348       8     333     339     345     351       8
     468     465     471     474       1     468     465    -471     474       2
     465     471     477     480       3     453     450     456     459      12
     453     450     456     462      12     447     444     450     453      12
     447     444     450     456      12     444     450     456     459      12
     441     438     435     462      12     441     438     444     447      12
     441     438     444     450      12     438     444     450     453      12
     435     438     444     447      12     435     462     456     459      14
     432     429     435     438      15     432     429     435     462      15
     429     435     438     441      12     426     423     420     462      16
     426     423     429     432      17     426     423     429     435      17
     420     423     429     432      17     420     462     456     459      14
     417     411     405     465       8     417     411     420     423       3
     417     411     420     462       3     414     411     405     465       8
     414     411     420     423       3     414     411     420     462       3
     411     420     423     426      16     408     405     411     414       8
     408     405     411     417       8     408     405     411     420       8
     408     405     465     468       3     408     405     465     471       3
     405     465     471     474       2     402     399     405     408       3
     402     399     405     411       3     402     399     405     465       3
     399     405     411     414       8     399     405     411     417       8
     510     507     513     516       1     510     507    -513     516       2
     507     513     519     522       3     498     489     483     501       8
     495     489     483     501       8     492     489     483     501       8
     489     483     501     504       9     486     483     477     507       8
     486     483     489     492       8     486     483     489     495       8
     486     483     489     498       8     486     483     501     504       9
     480     477     483     486       8     480     477     483     489       8
     480     477     483     501       8     480     477     507     510       3
     480     477     507     513       3     477     483     489     492       8
     477     483     489     495       8     477     483     489     498       8
     477     483     501     504       9     477     507     513     516       2
     474     471     477     480       3     474     471     477     483       3
     474     471     477     507       3     471     477     483     486       8
     582     579     585     588       1     582     579    -585     588       2
     579     585     591     594       3     567     564     570     573      12
     567     564     570     576      12     561     558     564     567      12
     561     558     564     570      12     558     564     570     573      12
     555     552     549     576      12     555     552     558     561      12
     555     552     558     564      12     552     558     564     567      12
     549     552     558     561      12     549     576     570     573      14
     546     543     549     552      15     546     543     549     576      15
     543     549     552     555      12     540     537     534     576      16
     540     537     543     546      17     540     537     543     549      17
     534     537     543     546      17     534     576     570     573      14
     531     525     519     579       8     531     525     534     537       3
     531     525     534     576       3     528     525     519     579       8
     528     525     534     537       3     528     525     534     576       3
     525     534     537     540      16     522     519     525     528       8
     522     519     525     531       8     522     519     525     534       8
     522     519     579     582       3     522     519     579     585       3
     519     579     585     588       2     516     513     519     522       3
     516     513     519     525       3     516     513     519     579       3
     513     519     525     528       8     513     519     525     531       8
     648     645     651     654       1     648     645    -651     654       2
     645     651     657     660       3     645     651     657     663       3
     645     651     657     666       3     630     624     633     636       8
     630     624     633     639       8     630     624     633     642       8
     627     624     633     636       8     627     624     633     639       8
     627     624     633     642       8     621     615     624     627       8
     621     615     624     630       8     621     615     624     633       8
     618     615     624     627       8     618     615     624     630       8
     618     615     624     633       8     615     624     633     636       8
     615     624     633     639       8     615     624     633     642       8
     612     606     615     618       8     612     606     615     621       8
     612     606     615     624       8     609     606     615     618       8
     609     606     615     621       8     609     606     615     624       8
     606     615     624     627       8     606     615     624     630       8
     603     597     591     645       8     603     597     606     609       8
     603     597     606     612       8     603     597     606     615       8
     600     597     591     645       8     600     597     606     609       8
     600     597     606     612       8     600     597     606     615       8
     597     606     615     618       8     597     606     615     621       8
     594     591     597     600       8     594     591     597     603       8
     594     591     597     606       8     594     591     645     648       3
     594     591     645     651       3     591     597     606     609       8
     591     597     606     612       8     591     645     651     654       2
     588     585     591     594       3     588     585     591     597       3
     588     585     591     645       3     585     591     597     600       8
     585     591     597     603       8     654     651     657     660       3
     654     651     657     663       3     654     651     657     666       3
      90     102     -96     -99      23      84      96     -90     -93      23
      78      90     -84     -87      23      75      84     -78     -81      23
      63      75     -69     -72      24      60      69     -63     -66      23
      33      45     -39     -42      24     105     117    -111    -114      24
     204     216    -210    -213      23     198     210    -204    -207      23
     192     204    -198    -201      23     189     198    -192    -195      23
     177     189    -183    -186      24     174     183    -177    -180      23
     147     159    -153    -156      24     219     231    -225    -228      24
     291     300    -297    -303      24     264     276    -270    -273      24
     306     318    -312    -315      24     327     339    -333    -336      24
     450     462    -456    -459      23     444     456    -450    -453      23
     438     450    -444    -447      23     435     444    -438    -441      23
     423     435    -429    -432      24     420     429    -423    -426      23
     393     405    -399    -402      24     465     477    -471    -474      24
     564     576    -570    -573      23     558     570    -564    -567      23
     552     564    -558    -561      23     549     558    -552    -555      23
     537     549    -543    -546      24     534     543    -537    -540      23
     507     519    -513    -516      24     579     591    -585    -588      24
     645     657    -651    -654      24
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      36      33      39      45       2      33      39      45      51       4
      33      39     -45      51       5      33      39     -45      51       6
      33      39      45     105       7      27      18      12      33       8
      18      12      33      36       3      18      12      33      39      10
      18      12     -33      39      11      12      33      39      45       2
       0      12      18      27       8       0      12      33      36       3
       0      12      33      39       3     108     105     111     117       2
     105     111     117     123       4     105     111    -117     123       5
     105     111    -117     123       6     105     111     117     147       7
      84      78      75     102      12      84      90     -96     102      12
      78      75     102      96      13      78      84     -90      96      12
      75      78      84      90      12      75     102     -96      90      14
      69      63     -60     102      16      69      75      78      84      12
      69      75     102      96      13      63      60    -102      75      18
      63      60     102      96      18      63      69      75      78      15
      63      69     -75     102      15      60      51      45     105       8
      60      63     -69      75      17      60     102     -75      69      13
      60     102      75      78      13      60     102      96      90      14
      51      45     105     108       3      51      45     105     111      10
      51      45    -105     111      11      51      60      63      69      16
      51      60     102      75      18      51      60     102      96      18
      45      51      60      63       3      45      51      60     102       3
      45     105     111     117       2      39      45      51      60       8
      39      45     105     108       3      39      45     105     111      19
      39      45    -105     111      20      39      45    -105     111      21
     150     147     153     159       2     147     153     159     165       4
     147     153    -159     165       5     147     153    -159     165       6
     147     153     159     219       7     141     123     117     147       8
     129     123     117     147       8     123     117     147     150       3
     123     117     147     153      10     123     117    -147     153      11
     117     147     153     159       2     111     117     123     129       8
     111     117     123     141       8     111     117     147     150       3
     111     117     147     153      19     111     117    -147     153      20
     111     117    -147     153      21     222     219     225     231       2
     219     225     231     237       4     219     225    -231     237       5
     219     225    -231     237       6     219     225     231     264       7
     198     192     189     216      12     198     204    -210     216      12
     192     189     216     210      13     192     198    -204     210      12
     189     192     198     204      12     189     216    -210     204      14
     183     177    -174     216      16     183     189     192     198      12
     183     189     216     210      13     177     174    -216     189      18
     177     174     216     210      18     177     183     189     192      15
     177     183    -189     216      15     174     165     159     219       8
     174     177    -183     189      17     174     216    -189     183      13
     174     216     189     192      13     174     216     210     204      14
     165     159     219     222       3     165     159     219     225      10
     165     159    -219     225      11     165     174     177     183      16
     165     174     216     189      18     165     174     216     210      18
     159     165     174     177       3     159     165     174     216       3
     159     219     225     231       2     153     159     165     174       8
     153     159     219     222       3     153     159     219     225      19
     153     159    -219     225      20     153     159    -219     225      21
     267     264     270     276       2     264     270     276     282       4
     264     270    -276     282       5     264     270    -276     282       6
     264     270     276     306       7     246     237     231     264       8
     237     231     264     267       3     237     231     264     270      10
     237     231    -264     270      11     237     246     255     258       3
     237     246     255     261       3     231     237     246     255       8
     231     264     270     276       2     225     231     237     246       8
     225     231     264     267       3     225     231     264     270      19
     225     231    -264     270      20     225     231    -264     270      21
     309     306     312     318       2     306     312     318     327       7
     291     282     276     306       8     282     276     306     309       3
     282     276     306     312      10     282     276    -306     312      11
     276     282     291     294       3     276     282     291     297      10
     276     282    -291     297      11     276     306     312     318       2
     270     276     282     291       8     270     276     306     309       3
     270     276     306     312      19     270     276    -306     312      20
     270     276    -306     312      21     330     327     333     339       2
     327     333     339     345       4     327     333    -339     345       5
     327     333    -339     345       6     327     333     339     393       7
     318     327     333     339       2     312     318     327     330       3
     312     318     327     333      19     312     318    -327     333      20
     312     318    -327     333      21     396     393     399     405       2
     393     399     405     411       4     393     399    -405     411       5
     393     399    -405     411       6     393     399     405     465       7
     354     345     339     393       8     354     363     372     381       8
     345     339     393     396       3     345     339     393     399      10
     345     339    -393     399      11     345     354     363     372       8
     339     345     354     363       8     339     393     399     405       2
     333     339     345     354       8     333     339     393     396       3
     333     339     393     399      19     333     339    -393     399      20
     333     339    -393     399      21     468     465     471     477       2
     465     471     477     483       4     465     471    -477     483       5
     465     471    -477     483       6     465     471     477     507       7
     444     438     435     462      12     444     450    -456     462      12
     438     435     462     456      13     438     444    -450     456      12
     435     438     444     450      12     435     462    -456     450      14
     429     423    -420     462      16     429     435     438     444      12
     429     435     462     456      13     423     420    -462     435      18
     423     420     462     456      18     423     429     435     438      15
     423     429    -435     462      15     420     411     405     465       8
     420     423    -429     435      17     420     462    -435     429      13
     420     462     435     438      13     420     462     456     450      14
     411     405     465     468       3     411     405     465     471      10
     411     405    -465     471      11     411     420     423     429      16
     411     420     462     435      18     411     420     462     456      18
     405     411     420     423       3     405     411     420     462       3
     405     465     471     477       2     399     405     411     420       8
     399     405     465     468       3     399     405     465     471      19
     399     405    -465     471      20     399     405    -465     471      21
     510     507     513     519       2     507     513     519     525       4
     507     513    -519     525       5     507     513    -519     525       6
     507     513     519     579       7     501     483     477     507       8
     489     483     477     507       8     483     477     507     510       3
     483     477     507     513      10     483     477    -507     513      11
     477     507     513     519       2     471     477     483     489       8
     471     477     483     501       8     471     477     507     510       3
     471     477     507     513      19     471     477    -507     513      20
     471     477    -507     513      21     582     579     585     591       2
     579     585     591     597       4     579     585    -591     597       5
     579     585    -591     597       6     579     585     591     645       7
     558     552     549     576      12     558     564    -570     576      12
     552     549     576     570      13     552     558    -564     570      12
     549     552     558     564      12     549     576    -570     564      14
     543     537    -534     576      16     543     549     552     558      12
     543     549     576     570      13     537     534    -576     549      18
     537     534     576     570      18     537     543     549     552      15
     537     543    -549     576      15     534     525     519     579       8
     534     537    -543     549      17     534     576    -549     543      13
     534     576     549     552      13     534     576     570     564      14
     525     519     579     582       3     525     519     579     585      10
     525     519    -579     585      11     525     534     537     543      16
     525     534     576     549      18     525     534     576     570      18
     519     525     534     537       3     519     525     534     576       3
     519     579     585     591       2     513     519     525     534       8
     513     519     579     582       3     513     519     579     585      19
     513     519    -579     585      20     513     519    -579     585      21
     648     645     651     657       2     606     597     591     645       8
     606     615     624     633       8     597     591     645     648       3
     597     591     645     651      10     597     591    -645     651      11
     597     606     615     624       8     591     597     606     615       8
     591     645     651     657       2     585     591     597     606       8
     585     591     645     648       3     585     591     645     651      19
     585     591    -645     651      20     585     591    -645     651      21
      12      39     -33     -36      22      45     111    -105    -108      22
      63     102     -60     -51      23     117     153    -147    -150      22
     159     225    -219    -222      22     216     165    -174    -177      23
     231     270    -264    -267      22     246     258    -255    -261      22
     276     312    -306    -309      22     282     297    -291    -294      22
     318     333    -327    -330      22     339     399    -393    -396      22
     405     471    -465    -468      22     462     411    -420    -423      23
     477     513    -507    -510      22     519     585    -579    -582      22
     576     525    -534    -537      23     591     651    -645    -648      22
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       9      10      12
      13      14       3       4       5       6       7      12       4       5
       6       7      12       5       6       7      12       6       7       8
       9      10      11      12      13      14      15      16       7       8
       9      10      12      13      14       8       9      10      11      12
      13      14       9      10      11      12      10      11      12      11
      12       0      13      14      15      16      17      18      36      14
      15      16      15      16      17      18      19      20      21      36
      37      38      16      17      18      36      17      18      19      20
      21      22      35      36      37      38      39      40      18      19
      20      21      36      37      38      19      20      21      22      23
      24      26      33      35      36      37      38      20      21      22
      35      36      21      22      35      36      22      23      24      25
      26      27      31      33      34      35      36      23      24      25
      26      27      33      35      24      25      26      35      25      26
      27      28      29      33      35      26      27      35      27      28
      29      30      31      33      34      35      28      29      30      31
      32      33      35      29      30      31      35      30      31      32
      33      34      35      31      32      33      32      33      34      35
      33      34      35      34      35      35       0      37      38      39
      40      41      42      50      38      39      40      39      40      41
      42      43      44      48      50      51      52      40      41      42
      50      41      42      43      44      45      46      47      48      49
      50      51      52      53      54      42      43      44      48      50
      51      52      43      44      45      46      47      48      49      50
      51      52      44      45      46      47      48      49      50      45
      46      47      48      49      50      46      47      48      47      48
      48      49      50       0      51      52      53      54      55      56
      74      52      53      54      53      54      55      56      57      58
      59      74      75      76      54      55      56      74      55      56
      57      58      59      60      73      74      75      76      77      78
      56      57      58      59      74      75      76      57      58      59
      60      61      62      64      71      73      74      75      76      58
      59      60      73      74      59      60      73      74      60      61
      62      63      64      65      69      71      72      73      74      61
      62      63      64      65      71      73      62      63      64      73
      63      64      65      66      67      71      73      64      65      73
      65      66      67      68      69      71      72      73      66      67
      68      69      70      71      73      67      68      69      73      68
      69      70      71      72      73      69      70      71      70      71
      72      73      71      72      73      72      73      73       0      75
      76      77      78      79      80      89      76      77      78      77
      78      79      80      81      82      83      89      90      91      78
      79      80      89      79      80      81      82      83      84      85
      86      89      90      91      92      93      80      81      82      83
      89      90      91      81      82      83      84      85      86      87
      88      89      90      91      82      83      84      85      86      89
      83      84      85      86      89      84      85      86      87      88
      89      85      86      87      88      86      87      88      87      88
      88       0      90      91      92      93      94      95     103      91
      92      93      92      93      94      95      96      97      98     103
     104     105      93      94      95     103      94      95      96      97
      98      99     100     103     104     105     106     107      95      96
      97      98     103     104     105      96      97      98      99     100
     101     102     103     104     105      97      98      99     100     103
      98      99     100     103      99     100     101     102     103     100
     101     102     101     102     102       0     104     105     106     107
     108     109     110     105     106     107     106     107     108     109
     110     111     112     107     108     109     110     108     109     110
     111     112     113     114     109     110     111     112     110     111
     112     111     112     113     114     115     116     132     112     113
     114     113     114     115     116     117     118     119     132     133
     134     114     115     116     132     115     116     117     118     119
     120     121     122     132     133     134     135     136     116     117
     118     119     132     133     134     117     118     119     120     121
     122     123     124     125     132     133     134     118     119     120
     121     122     132     119     120     121     122     132     120     121
     122     123     124     125     126     127     128     132     121     122
     123     124     125     122     123     124     125     123     124     125
     126     127     128     129     130     131     124     125     126     127
     128     125     126     127     128     126     127     128     129     130
     131     127     128     129     130     131     128     129     130     131
     129     130     131     130     131     131       0     133     134     135
     136     137     138     156     134     135     136     135     136     137
     138     139     140     141     156     157     158     136     137     138
     156     137     138     139     140     141     142     155     156     157
     158     159     160     138     139     140     141     156     157     158
     139     140     141     142     143     144     146     153     155     156
     157     158     140     141     142     155     156     141     142     155
     156     142     143     144     145     146     147     151     153     154
     155     156     143     144     145     146     147     153     155     144
     145     146     155     145     146     147     148     149     153     155
     146     147     155     147     148     149     150     151     153     154
     155     148     149     150     151     152     153     155     149     150
     151     155     150     151     152     153     154     155     151     152
     153     152     153     154     155     153     154     155     154     155
     155       0     157     158     159     160     161     162     170     158
     159     160     159     160     161     162     163     164     168     170
     171     172     160     161     162     170     161     162     163     164
     165     166     167     168     169     170     171     172     173     174
     162     163     164     168     170     171     172     163     164     165
     166     167     168     169     170     171     172     164     165     166
     167     168     169     170     165     166     167     168     169     170
     166     167     168     167     168     168     169     170       0     171
     172     173     174     175     176     194     172     173     174     173
     174     175     176     177     178     179     194     195     196     174
     175     176     194     175     176     177     178     179     180     193
     194     195     196     197     198     176     177     178     179     194
     195     196     177     178     179     180     181     182     184     191
     193     194     195     196     178     179     180     193     194     179
     180     193     194     180     181     182     183     184     185     189
     191     192     193     194     181     182     183     184     185     191
     193     182     183     184     193     183     184     185     186     187
     191     193     184     185     193     185     186     187     188     189
     191     192     193     186     187     188     189     190     191     193
     187     188     189     193     188     189     190     191     192     193
     189     190     191     190     191     192     193     191     192     193
     192     193     193       0     195     196     197     198     199     200
     216     196     197     198     197     198     199     200     201     202
     203     216     217     218     198     199     200     216     199     200
     201     202     203     204     205     206     216     217     218     219
     220     200     201     202     203     216     217     218     201     202
     203     204     205     206     207     208     209     216     217     218
     202     203     204     205     206     216     203     204     205     206
     216     204     205     206     207     208     209     210     211     212
     216     205     206     207     208     209     206     207     208     209
     207     208     209     210     211     212     213     214     215     208
     209     210     211     212     209     210     211     212     210     211
     212     213     214     215     211     212     213     214     215     212
     213     214     215     213     214     215     214     215     215       0
     217     218     219     220     221     222     223     218     219     220
     219     220     221     222     223     220     221     222     223     221
     222     223     222     223     223       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
N3  H   H   H   CT  HP  CT  H1  H1  OH  HO  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  H1  CT  HC  HC  HC  OH  HO  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  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  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  
C*  CW  H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CT  
H1  CT  H1  CT  HC  HC  HC  OH  HO  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  CT  HC  HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   O   N   H   CT  
H1  H1  H1  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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   3   E   E   E   S   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   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   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   
B   B   E   B   E   S   B   E   B   E   B   E   S   E   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   S   B   E   B   E   B   E   S   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   E   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
%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
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.50000000E+00
  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.70000000E+00  1.20000000E+00  1.55000000E+00  1.20000000E+00
  1.70000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.50000000E+00  1.20000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00
  1.20000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.50000000E+00  1.50000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00
  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.55000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.70000000E+00  1.20000000E+00  1.55000000E+00  1.20000000E+00
  1.70000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.50000000E+00  1.20000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00
  1.20000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00
  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
  1.20000000E+00  1.55000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.90000000E-01  8.50000000E-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
  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  7.90000000E-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
  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  7.90000000E-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  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
  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  7.90000000E-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  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  7.20000000E-01  8.50000000E-01  7.90000000E-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
  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  7.90000000E-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  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  8.50000000E-01  8.50000000E-01