File: outoforder.parm7

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%VERSION  VERSION_STAMP = V0001.000  DATE = 07/12/13  08:41:58                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ACE                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
      66       8      34      30      73      37     129      80       0       0
     307       9      30      37      80      13      25      22       9       0
       0       0       0       0       0       0       0       0      10       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
HH31CH3 HH32HH33C   O   N   H   CA  HA  CB  HB2 HB3 SG  C   O   N   H   CH3 HH31
HH32HH33HH31CH3 HH32HH33C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   
CH3 HH31HH32HH33HH31CH3 HH32HH33C   O   N   H   CA  HA  CB  HB2 HB3 SG  C   O   
N   H   CH3 HH31HH32HH33
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
  2.04636429E+00 -6.67300626E+00  2.04636429E+00  2.04636429E+00  1.08823576E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00  7.81736670E-01  1.39582818E+00
 -1.43956170E+00  1.65822930E+00  1.65822930E+00 -1.96983063E+00  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -2.71512270E+00  1.77849648E+00
  1.77849648E+00  1.77849648E+00  2.04636429E+00 -6.67300626E+00  2.04636429E+00
  2.04636429E+00  1.08823576E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00
  6.14091510E-01  1.49969529E+00 -3.32556975E+00  1.09880469E+00  1.09880469E+00
  1.09880469E+00  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00
 -2.71512270E+00  1.77849648E+00  1.77849648E+00  1.77849648E+00  2.04636429E+00
 -6.67300626E+00  2.04636429E+00  2.04636429E+00  1.08823576E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  7.81736670E-01  1.39582818E+00 -1.43956170E+00
  1.65822930E+00  1.65822930E+00 -1.96983063E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00 -2.71512270E+00  1.77849648E+00  1.77849648E+00
  1.77849648E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       1       6       1       1       6       8       7       1       6       1
       6       1       1      16       6       8       7       1       6       1
       1       1       1       6       1       1       6       8       7       1
       6       1       6       1       1       1       6       8       7       1
       6       1       1       1       1       6       1       1       6       8
       7       1       6       1       6       1       1      16       6       8
       7       1       6       1       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  3.20600000E+01  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  3.20600000E+01  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       1       1       3       4       5       6       2       7
       2       7       7       8       3       4       5       6       2       7
       7       7       1       2       1       1       3       4       5       6
       2       7       2       1       1       1       3       4       5       6
       2       7       7       7       1       2       1       1       3       4
       5       6       2       7       2       7       7       8       3       4
       5       6       2       7       7       7
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       6       7       4       3       7       3      10       4      11       7
       8       4       3       6       7       3       5       4       3       2
       1       1       6       7       4       3       7       3      10       4
      10       7       6       3       2       1       7       3       5       4
       3       2       1       1       6       7       4       3       7       3
      10       4      10       7       6       3       2       1       7       3
       5       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29       2       3
       5       8      12      17      23      30       4       5       6       9
      13      18      24      31       7       8       9      10      14      19
      25      32      11      12      13      14      15      20      26      33
      16      17      18      19      20      21      27      34      22      23
      24      25      26      27      28      35      29      30      31      32
      33      34      35      36
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
ACE CYX NME ACE ALA NME ACE CYX NME 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1       7      17      23      29      39      45      51      61
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  4.34000000E+02  3.37000000E+02  3.40000000E+02  3.37000000E+02  3.40000000E+02
  3.10000000E+02  2.27000000E+02  1.66000000E+02  3.17000000E+02  4.90000000E+02
  5.70000000E+02  3.40000000E+02  3.17000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.01000000E+00  1.44900000E+00  1.09000000E+00  1.44900000E+00  1.09000000E+00
  1.52600000E+00  1.81000000E+00  2.03800000E+00  1.52200000E+00  1.33500000E+00
  1.22900000E+00  1.09000000E+00  1.52200000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  5.00000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01  7.00000000E+01
  5.00000000E+01  8.00000000E+01  5.00000000E+01  6.80000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  6.30000000E+01  5.00000000E+01  6.30000000E+01
  5.00000000E+01  5.00000000E+01  8.00000000E+01  8.00000000E+01  7.00000000E+01
  3.50000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  5.00000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.06018753E+00  1.91113635E+00  1.91113635E+00  2.06018753E+00  2.03505478E+00
  1.91113635E+00  1.91462701E+00  1.91113635E+00  1.80990721E+00  1.91113635E+00
  2.00189351E+00  1.91113635E+00  1.92160833E+00  1.91113635E+00  1.93906163E+00
  2.09439600E+00  2.12755727E+00  2.10137732E+00  2.14501057E+00  2.03505478E+00
  1.91113635E+00  1.91113635E+00  2.12755727E+00  2.10137732E+00  1.91113635E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  4.50000000E-01  1.58000000E+00  5.50000000E-01  0.00000000E+00
  3.33333333E-01  2.50000000E+00  2.00000000E-01  2.00000000E-01  4.00000000E-01
  3.50000000E+00  6.00000000E-01  1.55555556E-01  8.00000000E-01  8.00000000E-02
  2.00000000E+00  2.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01
  1.10000000E+00  1.05000000E+01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00
  3.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  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  3.14159400E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  0.00000000E+00  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  0.00000000E+00  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  7.51607703E+03  9.71708117E+04  1.04308023E+06  8.61541883E+04  9.24822270E+05
  8.19971662E+05  5.44261042E+04  6.47841731E+05  5.74393458E+05  3.79876399E+05
  8.96776989E+04  9.95480466E+05  8.82619071E+05  6.06829342E+05  9.44293233E+05
  1.07193646E+02  2.56678134E+03  2.27577561E+03  1.02595236E+03  2.12601181E+03
  1.39982777E-01  4.98586848E+03  6.78771368E+04  6.01816484E+04  3.69471530E+04
  6.20665997E+04  5.94667300E+01  3.25969625E+03  2.02461849E+05  2.09861767E+06
  1.86068943E+06  1.32911052E+06  2.01562190E+06  5.97860700E+03  1.42791446E+05
  4.19430400E+06
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  2.17257828E+01  1.26919150E+02  6.75612247E+02  1.12529845E+02  5.99015525E+02
  5.31102864E+02  1.11805549E+02  6.26720080E+02  5.55666448E+02  5.64885984E+02
  1.36131731E+02  7.36907417E+02  6.53361429E+02  6.77220874E+02  8.01323529E+02
  2.59456373E+00  2.06278363E+01  1.82891803E+01  1.53505284E+01  2.09604198E+01
  9.37598976E-02  1.76949863E+01  1.06076943E+02  9.40505980E+01  9.21192136E+01
  1.13252061E+02  1.93248820E+00  1.43076527E+01  2.25248294E+02  1.17824605E+03
  1.04466382E+03  1.10369829E+03  1.28923404E+03  3.87070358E+01  1.89165096E+02
  2.04800000E+03
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
      51      48       1      57      54       3      60      54       3      63
      54       3      21      18       1      27      24       5      33      30
       3      36      30       3       3       0      12       6       3      12
       9       3      12      69      66      12      72      69      12      75
      69      12      87      84       1      93      90       5      99      96
      12     102      96      12     105      96      12     117     114       1
     123     120       3     126     120       3     129     120       3     135
     132      12     138     135      12     141     135      12     153     150
       1     159     156       5     165     162       3     168     162       3
     183     180       1     189     186       3     192     186       3     195
     186       3
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      54      48       2      24      18       4      30      24       6      39
      30       7      39     171       8      42      24       9      42      48
      10      45      42      11      12       3      13      12      18      10
      15      12      11      78      69      13      78      84      10      81
      78      11      90      84       4      96      90       6     108      90
       9     108     114      10     111     108      11     120     114       2
     144     135      13     144     150      10     147     144      11     156
     150       4     162     156       6     171     162       7     174     156
       9     174     180      10     177     174      11     186     180       2
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      54      48      51       1      57      54      48       2      60      54
      48       2      60      54      57       3      63      54      48       2
      63      54      57       3      63      54      60       3      24      18
      21       4      27      24      18       6      30      24      27       8
      33      30      24      10      36      30      24      10      36      30
      33       3      39      30      33      12      39      30      36      12
      42      24      27      14      42      48      51      16       6       3
       0      21       9       3       0      21       9       3       6      21
      12       3       0      22      12       3       6      22      12       3
       9      22      12      18      21      16      72      69      66      21
      75      69      66      21      75      69      72      21      78      69
      66      22      78      69      72      22      78      69      75      22
      78      84      87      16      90      84      87       4      93      90
      84       6      96      90      93       8      99      96      90      25
     102      96      90      25     102      96      99      21     105      96
      90      25     105      96      99      21     105      96     102      21
     108      90      93      14     108     114     117      16     120     114
     117       1     123     120     114       2     126     120     114       2
     126     120     123       3     129     120     114       2     129     120
     123       3     129     120     126       3     138     135     132      21
     141     135     132      21     141     135     138      21     144     135
     132      22     144     135     138      22     144     135     141      22
     144     150     153      16     156     150     153       4     159     156
     150       6     162     156     159       8     165     162     156      10
     168     162     156      10     168     162     165       3     171     162
     165      12     171     162     168      12     174     156     159      14
     174     180     183      16     186     180     183       1     189     186
     180       2     192     186     180       2     192     186     189       3
     195     186     180       2     195     186     189       3     195     186
     192       3
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      24      42      48       5      30      24      18       7      30      39
     171       9      39      30      24      11      39     171     162       9
      42      24      18      13      42      24      30      15      42      48
      54      17      45      42      24      18      45      42      48      19
       3      12      18      20      12      18      24      23      15      12
       3      24      15      12      18      19      69      78      84      20
      78      84      90      23      81      78      69      24      81      78
      84      19      90     108     114       5      96      90      84       7
     108      90      84      13     108      90      96      15     108     114
     120      17     111     108      90      18     111     108     114      19
     135     144     150      20     144     150     156      23     147     144
     135      24     147     144     150      19     156     174     180       5
     162     156     150       7     171     162     156      11     174     156
     150      13     174     156     162      15     174     180     186      17
     177     174     156      18     177     174     180      19
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      57      54      48      51       1      60      54      48      51       1
      63      54      48      51       1      24      42      48      51       7
      27      24      18      21       1      27      24      42      48       1
      30      24      18      21       1      33      30      24      18      13
      33      30      24      27      13      33      30      39     171       6
      36      30      24      18      13      36      30      24      27      13
      36      30      39     171       6      39      30      24      27      13
      39     171     162     165       6      39     171     162     168       6
      42      24      18      21       1      42      24      30      33      13
      42      24      30      36      13      42      48      54      57       1
      42      48      54      60       1      42      48      54      63       1
      45      42      24      27      14      45      42     -24      27       1
      45      42     -24      27      15      45      42      48      51      16
      45      42     -48      51       7       0       3      12      18       1
       3      12      18      21       7       6       3      12      18       1
       9       3      12      18       1      12      18      24      27       1
       0       3      12      15      14       0       3     -12      15       1
       0       3     -12      15      15      15      12       3       6      14
      15      12      -3       6       1      15      12      -3       6      15
      15      12       3       9      14      15      12      -3       9       1
      15      12      -3       9      15      15      12      18      21      16
      15      12     -18      21       7      66      69      78      84       1
      69      78      84      87       7      72      69      78      84       1
      75      69      78      84       1      78      84      90      93       1
      81      78      69      66      14      81      78     -69      66       1
      81      78     -69      66      15      81      78      69      72      14
      81      78     -69      72       1      81      78     -69      72      15
      81      78      69      75      14      81      78     -69      75       1
      81      78     -69      75      15      81      78      84      87      16
      81      78     -84      87       7      90     108     114     117       7
      93      90      84      87       1      93      90     108     114       1
      96      90      84      87       1      99      96      90      84      13
      99      96      90      93      13     102      96      90      84      13
     102      96      90      93      13     105      96      90      84      13
     105      96      90      93      13     108      90      84      87       1
     108      90      96      99      13     108      90      96     102      13
     108      90      96     105      13     108     114     120     123       1
     108     114     120     126       1     108     114     120     129       1
     111     108      90      93      14     111     108     -90      93       1
     111     108     -90      93      15     111     108     114     117      16
     111     108    -114     117       7     123     120     114     117       1
     126     120     114     117       1     129     120     114     117       1
     132     135     144     150       1     135     144     150     153       7
     138     135     144     150       1     141     135     144     150       1
     144     150     156     159       1     147     144     135     132      14
     147     144    -135     132       1     147     144    -135     132      15
     147     144     135     138      14     147     144    -135     138       1
     147     144    -135     138      15     147     144     135     141      14
     147     144    -135     141       1     147     144    -135     141      15
     147     144     150     153      16     147     144    -150     153       7
     156     174     180     183       7     159     156     150     153       1
     159     156     174     180       1     162     156     150     153       1
     165     162     156     150      13     165     162     156     159      13
     168     162     156     150      13     168     162     156     159      13
     171     162     156     159      13     174     156     150     153       1
     174     156     162     165      13     174     156     162     168      13
     174     180     186     189       1     174     180     186     192       1
     174     180     186     195       1     177     174     156     159      14
     177     174    -156     159       1     177     174    -156     159      15
     177     174     180     183      16     177     174    -180     183       7
     189     186     180     183       1     192     186     180     183       1
     195     186     180     183       1      42      54     -48     -51      21
      12      24     -18     -21      21      78      90     -84     -87      21
     108     120    -114    -117      21     144     156    -150    -153      21
     174     186    -180    -183      21
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      18      24      42      48       2      18      24     -42      48       3
      18      24     -42      48       4      18      24     -42      48       5
      24      30      39     171       6      24      42      48      54       7
      30      24      42      48       8      30      24     -42      48       9
      30      24     -42      48      10      30      24     -42      48       5
      30      39     171     162      11      30      39    -171     162      12
      39      30      24      18      13      39     171     162     156       6
      42      24      30      39      13      45      42      24      18       1
      45      42      24      30       1      45      42      48      54       7
       3      12      18      24       7      12      18      24      30      16
      12      18     -24      30      17      12      18     -24      30      10
      12      18     -24      30       5      12      18      24      42      18
      12      18     -24      42      19      12      18     -24      42      20
      12      18     -24      42       5      15      12      18      24       7
      69      78      84      90       7      78      84      90      96      16
      78      84     -90      96      17      78      84     -90      96      10
      78      84     -90      96       5      78      84      90     108      18
      78      84     -90     108      19      78      84     -90     108      20
      78      84     -90     108       5      81      78      84      90       7
      84      90     108     114       2      84      90    -108     114       3
      84      90    -108     114       4      84      90    -108     114       5
      90     108     114     120       7      96      90     108     114       8
      96      90    -108     114       9      96      90    -108     114      10
      96      90    -108     114       5     111     108      90      84       1
     111     108      90      96       1     111     108     114     120       7
     135     144     150     156       7     144     150     156     162      16
     144     150    -156     162      17     144     150    -156     162      10
     144     150    -156     162       5     144     150     156     174      18
     144     150    -156     174      19     144     150    -156     174      20
     144     150    -156     174       5     147     144     150     156       7
     150     156     174     180       2     150     156    -174     180       3
     150     156    -174     180       4     150     156    -174     180       5
     156     174     180     186       7     162     156     174     180       8
     162     156    -174     180       9     162     156    -174     180      10
     162     156    -174     180       5     171     162     156     150      13
     174     156     162     171      13     177     174     156     150       1
     177     174     156     162       1     177     174     180     186       7
      24      48     -42     -45      22       3      18     -12     -15      22
      69      84     -78     -81      22      90     114    -108    -111      22
     135     150    -144    -147      22     156     180    -174    -177      22
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       3       4       5       6
       7       8       9       4       5       6       7       5       6       7
       6       7       8       9      10      11      15       7       8       9
       8       9      10      11      12      13      14      15      16      17
       9      10      11      15      10      11      12      13      14      15
      16      17      18      19      58      11      12      13      14      15
      16      17      12      13      14      15      16      17      55      58
      13      14      15      58      14      15      58      15      53      55
      56      57      58      16      17      18      19      20      21      22
      17      18      19      18      19      20      21      22      19      20
      21      22      20      21      22      21      22      22       0      24
      25      26      27      28      29      25      26      27      28      29
      30      31      26      27      28      29      27      28      29      28
      29      30      31      32      33      37      29      30      31      30
      31      32      33      34      35      36      37      38      39      31
      32      33      37      32      33      34      35      36      37      38
      39      40      41      33      34      35      36      37      38      39
      34      35      36      37      38      39      35      36      37      36
      37      37      38      39      40      41      42      43      44      39
      40      41      40      41      42      43      44      41      42      43
      44      42      43      44      43      44      44       0      46      47
      48      49      50      51      47      48      49      50      51      52
      53      48      49      50      51      49      50      51      50      51
      52      53      54      55      59      51      52      53      52      53
      54      55      56      57      58      59      60      61      53      54
      55      59      54      55      56      57      58      59      60      61
      62      63      55      56      57      58      59      60      61      56
      57      58      59      60      61      57      58      59      58      59
      59      60      61      62      63      64      65      66      61      62
      63      62      63      64      65      66      63      64      65      66
      64      65      66      65      66      66       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
HC  CT  HC  HC  C   O   N   H   CX  H1  CT  H1  H1  S   C   O   N   H   CT  H1  
H1  H1  HC  CT  HC  HC  C   O   N   H   CX  H1  CT  HC  HC  HC  C   O   N   H   
CT  H1  H1  H1  HC  CT  HC  HC  C   O   N   H   CX  H1  CT  H1  H1  S   C   O   
N   H   CT  H1  H1  H1  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA BLA M   E   M   E   3   E   E   E   M   E   BLA BLA BLA BLA 
BLA BLA BLA BLA BLA BLA BLA BLA M   E   M   E   3   E   E   E   M   E   BLA BLA 
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M   E   M   E   3   E   E   E   M   E   
BLA BLA BLA BLA BLA BLA 
%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
%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
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.80000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.80000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  9.60000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  9.60000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0