File: tz2.nhe.parm7

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%VERSION  VERSION_STAMP = V0001.000  DATE = 07/12/11  08:34:45                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
                                                                                
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     220      12     104     123     233     169     481     372       0       0
    1211      13     123     169     372      31      68      35      21       0
       0       0       0       0       0       0       0       0      24       0
       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   HN1 HN2 
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
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  1.33769904E+01 -1.07402236E+01 -8.43692490E+00  4.21846245E+00  4.21846245E+00
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
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  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
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  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
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  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
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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       2
%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       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 NHE 
%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  3.40000000E+02  4.34000000E+02
  3.37000000E+02  3.10000000E+02  6.56000000E+02  3.17000000E+02  3.40000000E+02
  3.67000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.33500000E+00  9.60000000E-01  1.09000000E+00  1.41000000E+00
  1.09000000E+00  1.52600000E+00  1.52200000E+00  1.01000000E+00  1.47100000E+00
  1.08000000E+00  1.40400000E+00  1.40000000E+00  1.40000000E+00  1.41900000E+00
  1.01000000E+00  1.38000000E+00  1.08000000E+00  1.38100000E+00  1.35200000E+00
  1.45900000E+00  1.09000000E+00  1.49500000E+00  1.09000000E+00  1.01000000E+00
  1.44900000E+00  1.52600000E+00  1.25000000E+00  1.52200000E+00  1.09000000E+00
  1.47100000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  8.00000000E+01  5.00000000E+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
  5.00000000E+01  8.00000000E+01  7.00000000E+01  5.00000000E+01  3.50000000E+01
  5.00000000E+01  8.00000000E+01  8.00000000E+01  5.00000000E+01  5.00000000E+01
  6.30000000E+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  5.00000000E+01
  6.30000000E+01  5.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01
  6.30000000E+01  6.30000000E+01  5.00000000E+01  3.50000000E+01  7.00000000E+01
  7.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01
  5.00000000E+01  5.00000000E+01  8.00000000E+01  6.30000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  4.00000000E+01  8.00000000E+01  5.00000000E+01
  7.00000000E+01  6.30000000E+01  3.50000000E+01  8.00000000E+01  7.00000000E+01
  6.30000000E+01  3.50000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01
  5.00000000E+01  8.00000000E+01  4.00000000E+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  1.91113635E+00  2.01760148E+00
  2.06018753E+00  1.91113635E+00  1.91462701E+00  1.92160833E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.19911580E+00  1.91113635E+00
  2.04203610E+00  1.93906163E+00  2.09439600E+00  2.10137732E+00  2.03505478E+00
  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.94080696E+00  1.91113635E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  2.00000000E+00  4.00000000E-01
  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  1.55555556E-01
  1.66666667E-01  2.00000000E-01  2.00000000E-01  2.50000000E-01  1.60000000E-01
  3.62500000E+00  3.00000000E+00  3.50000000E+00  1.52500000E+00  6.52500000E+00
  1.50000000E+00  1.67500000E+00  8.00000000E-01  8.00000000E-02  4.50000000E-01
  1.58000000E+00  5.50000000E-01  0.00000000E+00  1.50000000E-01  2.00000000E-01
  2.50000000E-01  1.80000000E-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  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
  3.00000000E+00  1.00000000E+00  2.00000000E+00  1.00000000E+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  1.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+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  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
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+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  3.14159400E+00
  3.14159400E+00  0.00000000E+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
  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      24      39      42
      25     141     144       3     129     132      22     129     135      22
     129     138      22     123     126       4     117     120      24     111
     114      25     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      24     153
     156      25     246     249      22     246     252      22     237     240
      22     237     243      22     231     234      24     225     228      25
     297     300      25     297     303      25     282     285      22     282
     288      22     276     279      24     270     273      25     318     321
      24     318     324      24     312     315      25     381     384       9
     381     387       9     381     390       9     372     375      30     372
     378      30     363     366      22     363     369      22     354     357
      22     354     360      22     345     348      22     345     351      22
     339     342      24     333     336      25     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      24     399     402      25     501     504       3     489
     492      22     489     495      22     489     498      22     483     486
       4     477     480      24     471     474      25     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      24     513     516      25     633     636       9
     633     639       9     633     642       9     624     627      30     624
     630      30     615     618      22     615     621      22     606     609
      22     606     612      22     597     600      22     597     603      22
     591     594      24     585     588      25     651     654      25     651
     657      25
%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      26     147     150       1     147
     153       2     123     129      27     123     141       5     117     123
       7     117     147       8     111     117      26     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      26     264     267       1     264     270
       2     255     258      28     255     261      28     246     255      29
     237     246      27     231     237       7     231     264       8     225
     231      26     306     309       1     306     312       2     291     294
       1     291     297       2     282     291      29     276     282       7
     276     306       8     270     276      26     327     330       1     327
     333       2     318     327       8     312     318      26     393     396
       1     393     399       2     372     381      31     363     372      27
     354     363      27     345     354      27     339     345       7     339
     393       8     333     339      26     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      26     507     510       1     507     513       2     483
     489      27     483     501       5     477     483       7     477     507
       8     471     477      26     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      26     645     648       1     645     651       2     624     633
      31     615     624      27     606     615      27     597     606      27
     591     597       7     591     645       8     585     591      26
%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      42      48      45     105      43      45      51      54      44
      45      51      57      44      42      39      45      46      39      45
      48      47     147     153     156       2     135     129     138      39
     132     129     135      39     132     129     138      39     126     123
     129      51     126     123     141       4     123     129     132      52
     123     129     135      52     123     129     138      52     123     141
     144       7     120     117     123      42     120     117     147      43
     117     123     126      10     114     111     117      46     111     117
     120      47     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      42
     162     159     219      43     159     165     168      44     159     165
     171      44     156     153     159      46     153     159     162      47
     264     270     273       2     252     246     255      55     249     246
     252      39     249     246     255      55     243     237     246      52
     240     237     243      39     240     237     246      52     237     246
     249      52     237     246     252      52     234     231     237      42
     234     231     264      43     231     237     240      44     231     237
     243      44     228     225     231      46     225     231     234      47
     306     312     315       2     300     297     303      58     291     297
     300       2     291     297     303       2     288     282     291      55
     285     282     288      39     285     282     291      55     279     276
     282      42     279     276     306      43     276     282     285      44
     276     282     288      44     273     270     276      46     270     276
     279      47     327     333     336       2     324     318     327      43
     321     318     324      62     321     318     327      43     315     312
     318      46     312     318     321      47     312     318     324      47
     393     399     402       2     387     381     390      15     384     381
     387      15     384     381     390      15     378     372     381      63
     375     372     378      64     375     372     381      63     372     381
     384      65     372     381     387      65     372     381     390      65
     369     363     372      52     366     363     369      39     366     363
     372      52     363     372     375      66     363     372     378      66
     360     354     363      52     357     354     360      39     357     354
     363      52     354     363     366      52     354     363     369      52
     351     345     354      52     348     345     351      39     348     345
     354      52     345     354     357      52     345     354     360      52
     342     339     345      42     342     339     393      43     339     345
     348      44     339     345     351      44     336     333     339      46
     333     339     342      47     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      42     408     405     465      43     405     411     414      44
     405     411     417      44     402     399     405      46     399     405
     408      47     507     513     516       2     495     489     498      39
     492     489     495      39     492     489     498      39     486     483
     489      51     486     483     501       4     483     489     492      52
     483     489     495      52     483     489     498      52     483     501
     504       7     480     477     483      42     480     477     507      43
     477     483     486      10     474     471     477      46     471     477
     480      47     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      42
     522     519     579      43     519     525     528      44     519     525
     531      44     516     513     519      46     513     519     522      47
     645     651     654       2     645     651     657       2     639     633
     642      15     636     633     639      15     636     633     642      15
     630     624     633      63     627     624     630      64     627     624
     633      63     624     633     636      65     624     633     639      65
     624     633     642      65     621     615     624      52     618     615
     621      39     618     615     624      52     615     624     627      66
     615     624     630      66     612     606     615      52     609     606
     612      39     609     606     615      52     606     615     618      52
     606     615     621      52     603     597     606      52     600     597
     603      39     600     597     606      52     597     606     609      52
     597     606     612      52     594     591     597      42     594     591
     645      43     591     597     600      44     591     597     603      44
     588     585     591      46     585     591     594      47     654     651
     657      58
%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      45      45     105
     108      12      45     105     111      13      39      45      51      48
      39      45     105      49     150     147     153       1     147     153
     159       3     129     123     141      50     123     117     147       6
     117     123     129      53     117     123     141      11     117     147
     150      12     117     147     153      13     111     117     123      48
     111     117     147      49     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      45
     159     219     222      12     159     219     225      13     153     159
     165      48     153     159     219      49     267     264     270       1
     264     270     276       3     258     255     261      54     246     255
     258      56     246     255     261      56     237     231     264       6
     237     246     255      57     231     237     246      53     231     264
     267      12     231     264     270      13     225     231     237      48
     225     231     264      49     309     306     312       1     306     312
     318       3     294     291     297       1     282     276     306       6
     282     291     294      59     282     291     297      60     276     282
     291      61     276     306     309      12     276     306     312      13
     270     276     282      48     270     276     306      49     330     327
     333       1     327     333     339       3     318     327     330      12
     318     327     333      13     312     318     327      49     396     393
     399       1     393     399     405       3     363     372     381      67
     354     363     372      68     345     339     393       6     345     354
     363      68     339     345     354      53     339     393     396      12
     339     393     399      13     333     339     345      48     333     339
     393      49     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      45     405     465
     468      12     405     465     471      13     399     405     411      48
     399     405     465      49     510     507     513       1     507     513
     519       3     489     483     501      50     483     477     507       6
     477     483     489      53     477     483     501      11     477     507
     510      12     477     507     513      13     471     477     483      48
     471     477     507      49     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      45
     519     579     582      12     519     579     585      13     513     519
     525      48     513     519     579      49     648     645     651       1
     615     624     633      67     606     615     624      68     597     591
     645       6     597     606     615      68     591     597     606      53
     591     645     648      12     591     645     651      13     585     591
     597      48     585     591     645      49
%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      10
      24      18      27      30      11      21      18      12      33      10
      21      18      27      30      11      15      12      18      21      10
      15      12      18      24      10      15      12      18      27      10
      15      12      33      36       3      15      12      33      39       3
      12      18      27      30      14      12      18     -27      30      15
      12      33      39      42       2       9       0      12      15      10
       9       0      12      18      10       9       0      12      33      10
       6       0      12      15      10       6       0      12      18      10
       6       0      12      33      10       3       0      12      15      10
       3       0      12      18      10       3       0      12      33      10
       0      12      18      21      10       0      12      18      24      10
     108     105     111     114       1     108     105    -111     114       2
     105     111     117     120       3      93      90      96      99      16
      93      90      96     102      16      87      84      90      93      16
      87      84      90      96      16      84      90      96      99      16
      81      78      75     102      16      81      78      84      87      16
      81      78      84      90      16      78      84      90      93      16
      75      78      84      87      16      75     102      96      99      18
      72      69      75      78      19      72      69      75     102      19
      69      75      78      81      16      66      63      60     102      20
      66      63      69      72      21      66      63      69      75      21
      60      63      69      72      21      60     102      96      99      18
      57      51      45     105      10      57      51      60      63       3
      57      51      60     102       3      54      51      45     105      10
      54      51      60      63       3      54      51      60     102       3
      51      60      63      66      20      48      45      51      54      10
      48      45      51      57      10      48      45      51      60      10
      48      45     105     108      23      48      45    -105     108       3
      48      45    -105     108      24      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      10      39      45      51      57      10
     150     147     153     156       1     150     147    -153     156       2
     147     153     159     162       3     138     129     123     141      14
     138     129    -123     141      28     135     129     123     141      14
     135     129    -123     141      28     132     129     123     141      14
     132     129    -123     141      28     129     123     141     144      14
     129     123    -141     144      15     126     123     117     147      10
     126     123     129     132      10     126     123     129     135      10
     126     123     129     138      10     126     123     141     144      11
     120     117     123     126      10     120     117     123     129      10
     120     117     123     141      14     120     117    -123     141      28
     120     117     147     150      23     120     117    -147     150       3
     120     117    -147     150      24     120     117     147     153       3
     117     123     129     132      15     117     123     129     135      15
     117     123     129     138      15     117     123     141     144      14
     117     123    -141     144      15     117     147     153     156       2
     114     111     117     120       3     114     111     117     123       3
     114     111     117     147       3     111     117     123     126      10
     222     219     225     228       1     222     219    -225     228       2
     219     225     231     234       3     207     204     210     213      16
     207     204     210     216      16     201     198     204     207      16
     201     198     204     210      16     198     204     210     213      16
     195     192     189     216      16     195     192     198     201      16
     195     192     198     204      16     192     198     204     207      16
     189     192     198     201      16     189     216     210     213      18
     186     183     189     192      19     186     183     189     216      19
     183     189     192     195      16     180     177     174     216      20
     180     177     183     186      21     180     177     183     189      21
     174     177     183     186      21     174     216     210     213      18
     171     165     159     219      10     171     165     174     177       3
     171     165     174     216       3     168     165     159     219      10
     168     165     174     177       3     168     165     174     216       3
     165     174     177     180      20     162     159     165     168      10
     162     159     165     171      10     162     159     165     174      10
     162     159     219     222      23     162     159    -219     222       3
     162     159    -219     222      24     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      10     153     159     165     171      10
     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      10
     243     237     246     249      29     243     237     246     252      29
     243     237     246     255      10     240     237     231     264      10
     240     237     246     249      29     240     237     246     252      29
     240     237     246     255      10     234     231     237     240      10
     234     231     237     243      10     234     231     237     246      10
     234     231     264     267      23     234     231    -264     267       3
     234     231    -264     267      24     234     231     264     270       3
     231     237     246     249      15     231     237     246     252      15
     231     264     270     273       2     228     225     231     234       3
     228     225     231     237       3     228     225     231     264       3
     225     231     237     240      10     225     231     237     243      10
     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      10     288     282     291     294      23
     288     282    -291     294       3     288     282    -291     294      24
     288     282     291     297       3     285     282     276     306      10
     285     282     291     294      23     285     282    -291     294       3
     285     282    -291     294      24     285     282     291     297       3
     282     291     297     300       2     282     291     297     303       2
     279     276     282     285      10     279     276     282     288      10
     279     276     282     291      10     279     276     306     309      23
     279     276    -306     309       3     279     276    -306     309      24
     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      10
     270     276     282     288      10     330     327     333     336       1
     330     327    -333     336       2     327     333     339     342       3
     324     318     327     330      23     324     318    -327     330       3
     324     318    -327     330      24     324     318     327     333       3
     321     318     327     330      23     321     318    -327     330       3
     321     318    -327     330      24     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      10
     378     372     381     387      10     378     372     381     390      10
     375     372     381     384      10     375     372     381     387      10
     375     372     381     390      10     369     363     372     375      10
     369     363     372     378      10     369     363     372     381      10
     366     363     372     375      10     366     363     372     378      10
     366     363     372     381      10     363     372     381     384      10
     363     372     381     387      10     363     372     381     390      10
     360     354     363     366      29     360     354     363     369      29
     360     354     363     372      15     357     354     363     366      29
     357     354     363     369      29     357     354     363     372      15
     354     363     372     375      10     354     363     372     378      10
     351     345     339     393      10     351     345     354     357      29
     351     345     354     360      29     351     345     354     363      15
     348     345     339     393      10     348     345     354     357      29
     348     345     354     360      29     348     345     354     363      15
     345     354     363     366      15     345     354     363     369      15
     342     339     345     348      10     342     339     345     351      10
     342     339     345     354      10     342     339     393     396      23
     342     339    -393     396       3     342     339    -393     396      24
     342     339     393     399       3     339     345     354     357      15
     339     345     354     360      15     339     393     399     402       2
     336     333     339     342       3     336     333     339     345       3
     336     333     339     393       3     333     339     345     348      10
     333     339     345     351      10     468     465     471     474       1
     468     465    -471     474       2     465     471     477     480       3
     453     450     456     459      16     453     450     456     462      16
     447     444     450     453      16     447     444     450     456      16
     444     450     456     459      16     441     438     435     462      16
     441     438     444     447      16     441     438     444     450      16
     438     444     450     453      16     435     438     444     447      16
     435     462     456     459      18     432     429     435     438      19
     432     429     435     462      19     429     435     438     441      16
     426     423     420     462      20     426     423     429     432      21
     426     423     429     435      21     420     423     429     432      21
     420     462     456     459      18     417     411     405     465      10
     417     411     420     423       3     417     411     420     462       3
     414     411     405     465      10     414     411     420     423       3
     414     411     420     462       3     411     420     423     426      20
     408     405     411     414      10     408     405     411     417      10
     408     405     411     420      10     408     405     465     468      23
     408     405    -465     468       3     408     405    -465     468      24
     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      10
     399     405     411     417      10     510     507     513     516       1
     510     507    -513     516       2     507     513     519     522       3
     498     489     483     501      14     498     489    -483     501      28
     495     489     483     501      14     495     489    -483     501      28
     492     489     483     501      14     492     489    -483     501      28
     489     483     501     504      14     489     483    -501     504      15
     486     483     477     507      10     486     483     489     492      10
     486     483     489     495      10     486     483     489     498      10
     486     483     501     504      11     480     477     483     486      10
     480     477     483     489      10     480     477     483     501      14
     480     477    -483     501      28     480     477     507     510      23
     480     477    -507     510       3     480     477    -507     510      24
     480     477     507     513       3     477     483     489     492      15
     477     483     489     495      15     477     483     489     498      15
     477     483     501     504      14     477     483    -501     504      15
     477     507     513     516       2     474     471     477     480       3
     474     471     477     483       3     474     471     477     507       3
     471     477     483     486      10     582     579     585     588       1
     582     579    -585     588       2     579     585     591     594       3
     567     564     570     573      16     567     564     570     576      16
     561     558     564     567      16     561     558     564     570      16
     558     564     570     573      16     555     552     549     576      16
     555     552     558     561      16     555     552     558     564      16
     552     558     564     567      16     549     552     558     561      16
     549     576     570     573      18     546     543     549     552      19
     546     543     549     576      19     543     549     552     555      16
     540     537     534     576      20     540     537     543     546      21
     540     537     543     549      21     534     537     543     546      21
     534     576     570     573      18     531     525     519     579      10
     531     525     534     537       3     531     525     534     576       3
     528     525     519     579      10     528     525     534     537       3
     528     525     534     576       3     525     534     537     540      20
     522     519     525     528      10     522     519     525     531      10
     522     519     525     534      10     522     519     579     582      23
     522     519    -579     582       3     522     519    -579     582      24
     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      10
     513     519     525     531      10     648     645     651     654       1
     648     645    -651     654       2     648     645     651     657       1
     648     645    -651     657       2     630     624     633     636      10
     630     624     633     639      10     630     624     633     642      10
     627     624     633     636      10     627     624     633     639      10
     627     624     633     642      10     621     615     624     627      10
     621     615     624     630      10     621     615     624     633      10
     618     615     624     627      10     618     615     624     630      10
     618     615     624     633      10     615     624     633     636      10
     615     624     633     639      10     615     624     633     642      10
     612     606     615     618      29     612     606     615     621      29
     612     606     615     624      15     609     606     615     618      29
     609     606     615     621      29     609     606     615     624      15
     606     615     624     627      10     606     615     624     630      10
     603     597     591     645      10     603     597     606     609      29
     603     597     606     612      29     603     597     606     615      15
     600     597     591     645      10     600     597     606     609      29
     600     597     606     612      29     600     597     606     615      15
     597     606     615     618      15     597     606     615     621      15
     594     591     597     600      10     594     591     597     603      10
     594     591     597     606      10     594     591     645     648      23
     594     591    -645     648       3     594     591    -645     648      24
     594     591     645     651       3     591     597     606     609      15
     591     597     606     612      15     591     645     651     654       2
     591     645     651     657       2     588     585     591     594       3
     588     585     591     597       3     588     585     591     645       3
     585     591     597     600      10     585     591     597     603      10
      90     102     -96     -99      34      84      96     -90     -93      34
      78      90     -84     -87      34      75      84     -78     -81      34
      63      75     -69     -72      35      60      69     -63     -66      34
      33      45     -39     -42      34     105     117    -111    -114      34
     204     216    -210    -213      34     198     210    -204    -207      34
     192     204    -198    -201      34     189     198    -192    -195      34
     177     189    -183    -186      35     174     183    -177    -180      34
     147     159    -153    -156      34     219     231    -225    -228      34
     291     300    -297    -303      35     264     276    -270    -273      34
     306     318    -312    -315      34     327     339    -333    -336      34
     450     462    -456    -459      34     444     456    -450    -453      34
     438     450    -444    -447      34     435     444    -438    -441      34
     423     435    -429    -432      35     420     429    -423    -426      34
     393     405    -399    -402      34     465     477    -471    -474      34
     564     576    -570    -573      34     558     570    -564    -567      34
     552     564    -558    -561      34     549     558    -552    -555      34
     537     549    -543    -546      35     534     543    -537    -540      34
     507     519    -513    -516      34     579     591    -585    -588      34
     645     654    -651    -657      35
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      36      33      39      45       2      33      39      45      51       1
      33      39     -45      51       4      33      39     -45      51       5
      33      39     -45      51       6      33      39      45     105       7
      33      39     -45     105       8      33      39     -45     105       9
      33      39     -45     105       6      27      18      12      33      10
      18      12      33      36       3      18      12      33      39      12
      18      12     -33      39      13      18      12     -33      39       5
      18      12     -33      39       6      12      33      39      45       2
       0      12      18      27      10       0      12      33      36       3
       0      12      33      39       3     108     105     111     117       2
     105     111     117     123       1     105     111    -117     123       4
     105     111    -117     123       5     105     111    -117     123       6
     105     111     117     147       7     105     111    -117     147       8
     105     111    -117     147       9     105     111    -117     147       6
      84      78      75     102      16      84      90     -96     102      16
      78      75     102      96      17      78      84     -90      96      16
      75      78      84      90      16      75     102     -96      90      18
      69      63     -60     102      20      69      75      78      84      16
      69      75     102      96      17      63      60    -102      75      22
      63      60     102      96      22      63      69      75      78      19
      63      69     -75     102      19      60      51      45     105      10
      60      63     -69      75      21      60     102     -75      69      17
      60     102      75      78      17      60     102      96      90      18
      51      45     105     108       3      51      45     105     111      12
      51      45    -105     111      13      51      45    -105     111       5
      51      45    -105     111       6      51      60      63      69      20
      51      60     102      75      22      51      60     102      96      22
      45      51      60      63       3      45      51      60     102       3
      45     105     111     117       2      39      45      51      60      10
      39      45     105     108       3      39      45     105     111      25
      39      45    -105     111      26      39      45    -105     111      27
      39      45    -105     111       6     150     147     153     159       2
     147     153     159     165       1     147     153    -159     165       4
     147     153    -159     165       5     147     153    -159     165       6
     147     153     159     219       7     147     153    -159     219       8
     147     153    -159     219       9     147     153    -159     219       6
     141     123     117     147      10     129     123     117     147      10
     123     117     147     150       3     123     117     147     153      12
     123     117    -147     153      13     123     117    -147     153       5
     123     117    -147     153       6     117     147     153     159       2
     111     117     123     129      10     111     117     123     141      10
     111     117     147     150       3     111     117     147     153      25
     111     117    -147     153      26     111     117    -147     153      27
     111     117    -147     153       6     222     219     225     231       2
     219     225     231     237       1     219     225    -231     237       4
     219     225    -231     237       5     219     225    -231     237       6
     219     225     231     264       7     219     225    -231     264       8
     219     225    -231     264       9     219     225    -231     264       6
     198     192     189     216      16     198     204    -210     216      16
     192     189     216     210      17     192     198    -204     210      16
     189     192     198     204      16     189     216    -210     204      18
     183     177    -174     216      20     183     189     192     198      16
     183     189     216     210      17     177     174    -216     189      22
     177     174     216     210      22     177     183     189     192      19
     177     183    -189     216      19     174     165     159     219      10
     174     177    -183     189      21     174     216    -189     183      17
     174     216     189     192      17     174     216     210     204      18
     165     159     219     222       3     165     159     219     225      12
     165     159    -219     225      13     165     159    -219     225       5
     165     159    -219     225       6     165     174     177     183      20
     165     174     216     189      22     165     174     216     210      22
     159     165     174     177       3     159     165     174     216       3
     159     219     225     231       2     153     159     165     174      10
     153     159     219     222       3     153     159     219     225      25
     153     159    -219     225      26     153     159    -219     225      27
     153     159    -219     225       6     267     264     270     276       2
     264     270     276     282       1     264     270    -276     282       4
     264     270    -276     282       5     264     270    -276     282       6
     264     270     276     306       7     264     270    -276     306       8
     264     270    -276     306       9     264     270    -276     306       6
     246     237     231     264      10     237     231     264     267       3
     237     231     264     270      12     237     231    -264     270      13
     237     231    -264     270       5     237     231    -264     270       6
     237     246     255     258       3     237     246     255     261       3
     231     237     246     255      10     231     264     270     276       2
     225     231     237     246      10     225     231     264     267       3
     225     231     264     270      25     225     231    -264     270      26
     225     231    -264     270      27     225     231    -264     270       6
     309     306     312     318       2     306     312     318     327       7
     306     312    -318     327       8     306     312    -318     327       9
     306     312    -318     327       6     291     282     276     306      10
     282     276     306     309       3     282     276     306     312      12
     282     276    -306     312      13     282     276    -306     312       5
     282     276    -306     312       6     276     282     291     294       3
     276     282     291     297      12     276     282    -291     297      13
     276     282    -291     297       5     276     282    -291     297       6
     276     306     312     318       2     270     276     282     291      10
     270     276     306     309       3     270     276     306     312      25
     270     276    -306     312      26     270     276    -306     312      27
     270     276    -306     312       6     330     327     333     339       2
     327     333     339     345       1     327     333    -339     345       4
     327     333    -339     345       5     327     333    -339     345       6
     327     333     339     393       7     327     333    -339     393       8
     327     333    -339     393       9     327     333    -339     393       6
     318     327     333     339       2     312     318     327     330       3
     312     318     327     333      25     312     318    -327     333      26
     312     318    -327     333      27     312     318    -327     333       6
     396     393     399     405       2     393     399     405     411       1
     393     399    -405     411       4     393     399    -405     411       5
     393     399    -405     411       6     393     399     405     465       7
     393     399    -405     465       8     393     399    -405     465       9
     393     399    -405     465       6     354     345     339     393      10
     354     363     372     381      10     345     339     393     396       3
     345     339     393     399      12     345     339    -393     399      13
     345     339    -393     399       5     345     339    -393     399       6
     345     354     363     372      30     345     354    -363     372      31
     345     354    -363     372      32     339     345     354     363      30
     339     345    -354     363      31     339     345    -354     363      32
     339     393     399     405       2     333     339     345     354      10
     333     339     393     396       3     333     339     393     399      25
     333     339    -393     399      26     333     339    -393     399      27
     333     339    -393     399       6     468     465     471     477       2
     465     471     477     483       1     465     471    -477     483       4
     465     471    -477     483       5     465     471    -477     483       6
     465     471     477     507       7     465     471    -477     507       8
     465     471    -477     507       9     465     471    -477     507       6
     444     438     435     462      16     444     450    -456     462      16
     438     435     462     456      17     438     444    -450     456      16
     435     438     444     450      16     435     462    -456     450      18
     429     423    -420     462      20     429     435     438     444      16
     429     435     462     456      17     423     420    -462     435      22
     423     420     462     456      22     423     429     435     438      19
     423     429    -435     462      19     420     411     405     465      10
     420     423    -429     435      21     420     462    -435     429      17
     420     462     435     438      17     420     462     456     450      18
     411     405     465     468       3     411     405     465     471      12
     411     405    -465     471      13     411     405    -465     471       5
     411     405    -465     471       6     411     420     423     429      20
     411     420     462     435      22     411     420     462     456      22
     405     411     420     423       3     405     411     420     462       3
     405     465     471     477       2     399     405     411     420      10
     399     405     465     468       3     399     405     465     471      25
     399     405    -465     471      26     399     405    -465     471      27
     399     405    -465     471       6     510     507     513     519       2
     507     513     519     525       1     507     513    -519     525       4
     507     513    -519     525       5     507     513    -519     525       6
     507     513     519     579       7     507     513    -519     579       8
     507     513    -519     579       9     507     513    -519     579       6
     501     483     477     507      10     489     483     477     507      10
     483     477     507     510       3     483     477     507     513      12
     483     477    -507     513      13     483     477    -507     513       5
     483     477    -507     513       6     477     507     513     519       2
     471     477     483     489      10     471     477     483     501      10
     471     477     507     510       3     471     477     507     513      25
     471     477    -507     513      26     471     477    -507     513      27
     471     477    -507     513       6     582     579     585     591       2
     579     585     591     597       1     579     585    -591     597       4
     579     585    -591     597       5     579     585    -591     597       6
     579     585     591     645       7     579     585    -591     645       8
     579     585    -591     645       9     579     585    -591     645       6
     558     552     549     576      16     558     564    -570     576      16
     552     549     576     570      17     552     558    -564     570      16
     549     552     558     564      16     549     576    -570     564      18
     543     537    -534     576      20     543     549     552     558      16
     543     549     576     570      17     537     534    -576     549      22
     537     534     576     570      22     537     543     549     552      19
     537     543    -549     576      19     534     525     519     579      10
     534     537    -543     549      21     534     576    -549     543      17
     534     576     549     552      17     534     576     570     564      18
     525     519     579     582       3     525     519     579     585      12
     525     519    -579     585      13     525     519    -579     585       5
     525     519    -579     585       6     525     534     537     543      20
     525     534     576     549      22     525     534     576     570      22
     519     525     534     537       3     519     525     534     576       3
     519     579     585     591       2     513     519     525     534      10
     513     519     579     582       3     513     519     579     585      25
     513     519    -579     585      26     513     519    -579     585      27
     513     519    -579     585       6     606     597     591     645      10
     606     615     624     633      10     597     591     645     648       3
     597     591     645     651      12     597     591    -645     651      13
     597     591    -645     651       5     597     591    -645     651       6
     597     606     615     624      30     597     606    -615     624      31
     597     606    -615     624      32     591     597     606     615      30
     591     597    -606     615      31     591     597    -606     615      32
     585     591     597     606      10     585     591     645     648       3
     585     591     645     651      25     585     591    -645     651      26
     585     591    -645     651      27     585     591    -645     651       6
      12      39     -33     -36      33      45     111    -105    -108      33
     102      51     -60     -63      34     117     153    -147    -150      33
     159     225    -219    -222      33     216     165    -174    -177      34
     231     270    -264    -267      33     246     258    -255    -261      33
     276     312    -306    -309      33     282     297    -291    -294      33
     318     333    -327    -330      33     339     399    -393    -396      33
     405     471    -465    -468      33     462     411    -420    -423      34
     477     513    -507    -510      33     519     585    -579    -582      33
     576     525    -534    -537      34     591     651    -645    -648      33
%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     218     219     220     219     220     220
       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   CX  HP  CT  H1  H1  OH  HO  C   O   N   H   CX  H1  CT  HC  HC  
C*  CW  H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CX  
H1  CT  H1  CT  HC  HC  HC  OH  HO  C   O   N   H   CX  H1  CT  HC  HC  C*  CW  
H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CX  H1  CT  
HC  HC  CT  HC  HC  C   O2  O2  C   O   N   H   CX  H1  CT  HC  HC  C   O   N   
H   H   C   O   N   H   CX  H1  H1  C   O   N   H   CX  H1  CT  HC  HC  CT  HC  
HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   O   N   H   CX  H1  CT  HC  HC  
C*  CW  H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CX  
H1  CT  H1  CT  HC  HC  HC  OH  HO  C   O   N   H   CX  H1  CT  HC  HC  C*  CW  
H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CX  H1  CT  
HC  HC  CT  HC  HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   O   N   H   H   
%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   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
%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
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  1.30000000E+00  1.30000000E+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  1.30000000E+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  1.70000000E+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  1.55000000E+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  1.30000000E+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  1.30000000E+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  1.70000000E+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  1.70000000E+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  1.55000000E+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  1.30000000E+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  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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