%VERSION  VERSION_STAMP = V0001.000  DATE = 08/01/18  16:48:50
%FLAG TITLE
%FORMAT(20a4)
NASN
%FLAG POINTERS
%FORMAT(10I8)
     304      12     150     160     346     219     653     403       0       0
    1701      20     160     219     403      32      70      34      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 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  
CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  
HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  
HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   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  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   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  OD1 OD2 C   O   N   H   CA  HA2 HA3 C   O   N   H   CA  HA2 
HA3 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  
HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   
H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  
HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 
CA  HA  C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   CD  
HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  HB2 HB3 OG  
HG  C   O   OXT 
%FLAG CHARGE
%FORMAT(5E16.8)
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 -7.57501011E+00  4.95464337E+00 -2.55112200E-02  1.59627348E+00 -2.76978960E-01
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  2.63676681E+00 -4.34966301E+00  3.09779100E+00  2.26503189E+00  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -9.43915140E-01  1.68009606E+00
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 -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00 -7.50940983E+00
  1.82223000E+00  1.82223000E+00  1.82223000E+00  1.08841798E+01 -1.03484442E+01
 -6.33953817E+00  5.00566581E+00 -4.37335200E+00  2.59849998E+00 -1.71289620E-01
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 -1.27556100E-01  4.61024190E-01  4.61024190E-01 -4.84713180E-01  1.16804943E+00
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 -1.57203782E+01  8.15994594E+00  8.15994594E+00  1.33769904E+01 -1.07402236E+01
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  3.88134990E-01  3.88134990E-01 -1.27556100E-01  4.61024190E-01  4.61024190E-01
 -4.84713180E-01  1.16804943E+00  1.07438681E+01 -1.04741780E+01 -4.64304204E+00
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  3.88134990E-01 -1.27556100E-01  4.61024190E-01  4.61024190E-01 -4.84713180E-01
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  8.15265702E+00  1.47837520E+01 -1.48183744E+01 -1.48183744E+01
%FLAG MASS
%FORMAT(5E16.8)
  7.96200000E+00  3.02400000E+00  3.02400000E+00  3.02400000E+00  9.99400000E+00
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  3.02400000E+00  1.20100000E+01  9.97800000E+00  3.02400000E+00  3.02400000E+00
  9.97800000E+00  3.02400000E+00  3.02400000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  7.97800000E+00  3.02400000E+00  3.02400000E+00  7.97800000E+00
  3.02400000E+00  3.02400000E+00  7.97800000E+00  3.02400000E+00  3.02400000E+00
  9.99400000E+00  3.02400000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  7.97800000E+00  3.02400000E+00  3.02400000E+00  7.97800000E+00  3.02400000E+00
  3.02400000E+00  7.97800000E+00  3.02400000E+00  3.02400000E+00  9.99400000E+00
  3.02400000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  7.97800000E+00
  3.02400000E+00  3.02400000E+00  7.97800000E+00  3.02400000E+00  3.02400000E+00
  7.97800000E+00  3.02400000E+00  3.02400000E+00  9.99400000E+00  3.02400000E+00
  1.20100000E+01  1.60000000E+01  1.19940000E+01  3.02400000E+00  9.99400000E+00
  3.02400000E+00  7.97800000E+00  3.02400000E+00  3.02400000E+00  1.39840000E+01
  3.02400000E+00  1.20100000E+01  1.60000000E+01  1.60000000E+01
%FLAG ATOM_TYPE_INDEX
%FORMAT(10I8)
       1       2       2       2       3       4       3       5       5       6
       7       1       2       2       6       7       1       2       3       8
       3       5       5       3       5       3       5       5       5       3
       5       5       5       6       7       1       2       3       8       3
       5       5       6       6       9       6       9       6      10      11
       6       9       6       9       6       7       1       2       3       8
       3       5       3       5       5       5       3       5       5       3
       5       5       5       6       7       1       2       3       8       3
       5       5       3       5       5       6       7       1       2       2
       6       7       1       2       3       8       3       5       5       6
       6      12       1       2       6       6       9       6       9       6
       9       6       9       6       6       7       1       2       3       8
       3       5       5       3       5       3       5       5       5       3
       5       5       5       6       7       1       2       3       8       3
       5       5       3       5       5       3       5       5       3       4
       4       1       2       2       2       6       7       1       2       3
       8       3       5       5       6       7       7       6       7       1
       2       3       8       8       6       7       1       2       3       8
       8       6       7       1       3       8       8       3       5       5
       3       5       5       3       8       6       7       1       2       3
       8       3       8       8      10      11       6       7       1       2
       3       8       3       8       8      10      11       6       7       1
       2       3       8       8       6       7       1       2       3       8
       3       5       5       3       5       5       3       8       8       1
       2       6       1       2       2       1       2       2       6       7
       1       3       8       8       3       5       5       3       5       5
       3       8       6       7       1       3       8       8       3       5
       5       3       5       5       3       8       6       7       1       3
       8       8       3       5       5       3       5       5       3       8
       6       7       1       2       3       8       3       8       8      10
      11       6       7       7
%FLAG NUMBER_EXCLUDED_ATOMS
%FORMAT(10I8)
      12       6       5       4      12       7      10       5       4       5
       3       2       1       1       7       3      10       4      13       7
      15       6       5      10       8       7       3       2       1       3
       2       1       1       7       3      10       4      12       7      12
       5       4      10       8       4       7       3       6       4       1
       3       2       1       1       7       3      10       4      16       7
      15       9       8       3       2       1       7       5       4       3
       2       1       1       7       3      10       4      13       7      11
       6       5       8       4       3       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      13       7
      15       6       5      10       8       7       3       2       1       3
       2       1       1       7       3      10       4      13       7      12
       6       5      10       5       4       9       5       4       6       5
       4       3       2       1       1       7       3      10       4      12
       7       8       5       4       3       1       1       7       3       7
       4       7       4       3       7       3       7       4       7       4
       3      10       3      14      11       6       5       8       5       4
       7       4       3       6       3       7       3      10       4      11
       7       7       4       3       2       1       7       3      10       4
      11       7       7       4       3       2       1       7       3       7
       4       7       4       3       7       3      10       4      13       7
      12       6       5       9       5       4       7       4       3       8
       3       6       5       2       1       2       1       1      10       3
      14      11       6       5       8       5       4       7       4       3
       6       3      10       3      14      11       6       5       8       5
       4       7       4       3       6       3      10       3      14      11
       6       5       8       5       4       7       4       3       6       3
       7       3      10       4       9       7       7       4       3       2
       1       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)
ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO SER 
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
       1      17      36      57      76      93     117     136     158     170
     177     184     198     209     220     227     251     265     279     293
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
  5.70000000E+02  4.90000000E+02  4.34000000E+02  3.40000000E+02  3.17000000E+02
  3.40000000E+02  3.10000000E+02  4.34000000E+02  3.67000000E+02  3.40000000E+02
  3.37000000E+02  3.67000000E+02  4.69000000E+02  5.53000000E+02  4.50000000E+02
  4.69000000E+02  3.17000000E+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  3.17000000E+02  6.56000000E+02  3.20000000E+02  4.34000000E+02
  4.81000000E+02  3.37000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
  1.22900000E+00  1.33500000E+00  1.01000000E+00  1.09000000E+00  1.52200000E+00
  1.09000000E+00  1.52600000E+00  1.01000000E+00  1.47100000E+00  1.09000000E+00
  1.44900000E+00  1.08000000E+00  1.40000000E+00  9.60000000E-01  1.36400000E+00
  1.40900000E+00  1.51000000E+00  1.40400000E+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  1.49500000E+00  1.25000000E+00  1.41000000E+00  1.01000000E+00
  1.34000000E+00  1.46300000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
  8.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01
  3.50000000E+01  6.30000000E+01  8.00000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01
  8.00000000E+01  8.00000000E+01  4.00000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  8.00000000E+01  6.30000000E+01  5.00000000E+01
  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
  6.30000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01  5.00000000E+01
  6.30000000E+01  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  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  7.00000000E+01  7.00000000E+01  6.30000000E+01
  3.50000000E+01  8.00000000E+01  7.00000000E+01  3.50000000E+01  5.00000000E+01
  5.00000000E+01  5.50000000E+01  5.00000000E+01  3.50000000E+01  7.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
  2.14501057E+00  2.09439600E+00  2.12755727E+00  2.09439600E+00  1.91113635E+00
  1.91113635E+00  1.93906163E+00  2.10137732E+00  2.03505478E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.94080696E+00  1.94080696E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  2.06018753E+00  1.91113635E+00  1.91462701E+00  1.92160833E+00  2.09439600E+00
  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
  2.09439600E+00  1.91113635E+00  2.09439600E+00  1.98967620E+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  2.18166250E+00  2.24449438E+00  2.01760148E+00
  1.91113635E+00  2.19911580E+00  2.04203610E+00  1.91113635E+00  2.05948940E+00
  1.91113635E+00  1.89368305E+00  1.91113635E+00  2.09439600E+00  2.09439600E+00
  2.09439600E+00  1.91113635E+00  2.06647072E+00  2.15024656E+00  1.94080696E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
  2.00000000E+00  2.50000000E+00  0.00000000E+00  5.30000000E-01  1.50000000E-01
  5.00000000E-01  1.00000000E+00  1.55555556E-01  8.00000000E-01  8.00000000E-02
  7.00000000E-02  1.00000000E-01  1.60000000E-01  1.50000000E-01  2.00000000E-01
  2.50000000E-01  1.80000000E-01  7.00000000E-01  1.10000000E+00  3.62500000E+00
  2.30000000E+00  3.00000000E+00  3.50000000E+00  1.52500000E+00  6.52500000E+00
  1.50000000E+00  1.67500000E+00  1.66666667E-01  2.50000000E-01  2.40000000E+00
  0.00000000E+00  1.05000000E+01  1.00000000E+00  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
  1.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
  2.00000000E+00  4.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  1.00000000E+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  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  3.14159400E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+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
  8.96776989E+04  1.07193646E+02  9.71708117E+04  1.41077189E+03  7.51607703E+03
  8.82619071E+05  2.27577561E+03  9.24822270E+05  2.01619733E+04  8.61541883E+04
  8.19971662E+05  6.06829342E+05  1.02595236E+03  6.47841731E+05  1.12780457E+04
  5.44261042E+04  5.74393458E+05  3.79876399E+05  6.20665997E+04  5.94667300E+01
  6.78771368E+04  8.79040886E+02  4.98586848E+03  6.01816484E+04  3.69471530E+04
  3.25969625E+03  7.91627154E+04  8.90987508E+01  8.59947003E+04  1.21014911E+03
  6.55825601E+03  7.62451550E+04  4.77908183E+04  4.33325458E+03  5.71629601E+03
  7.44975864E+05  1.40467023E+03  7.91544157E+05  1.45985502E+04  6.82786631E+04
  7.01803794E+05  4.71003287E+05  4.66922514E+04  6.00750218E+04  5.81803229E+05
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  6.58473870E+04  6.63368273E+01  7.18621074E+04  9.55000044E+02
  5.34045360E+03  6.37148278E+04  3.93690817E+04  3.50301067E+03  4.64559155E+03
  4.96707306E+04  0.00000000E+00  3.76169105E+03
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
  8.01323529E+02  2.09604198E+01  9.37598976E-02  7.36907417E+02  2.06278363E+01
  6.75612247E+02  6.45756063E+01  7.57919667E-01  6.13981767E+01  3.56012899E+00
  1.36131731E+02  2.59456373E+00  1.26919150E+02  9.41257003E+00  2.17257828E+01
  6.53361429E+02  1.82891803E+01  5.99015525E+02  5.44372326E+01  1.12529845E+02
  5.31102864E+02  6.77220874E+02  1.53505284E+01  6.26720080E+02  5.08951803E+01
  1.11805549E+02  5.55666448E+02  5.64885984E+02  1.13252061E+02  1.93248820E+00
  1.06076943E+02  7.42992380E+00  1.76949863E+01  9.40505980E+01  9.21192136E+01
  1.43076527E+01  1.26451907E+02  2.33864085E+00  1.18043746E+02  8.61880722E+00
  2.00642027E+01  1.04660679E+02  1.03580945E+02  1.63092814E+01  1.85196588E+01
  7.50714425E+02  1.79702257E+01  6.93079947E+02  5.79323581E+01  1.25287818E+02
  6.14502845E+02  6.29300710E+02  1.03606917E+02  1.16187983E+02  6.99746810E+02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.15327881E+02  2.01792524E+00  1.07908863E+02  7.65648470E+00
  1.81057616E+01  9.56748258E+01  9.40124296E+01  1.46638650E+01  1.66953734E+01
  1.05648788E+02  0.00000000E+00  1.50233639E+01
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
      33      36       3      33      39       3      18      21       4      18
      24       4      12      15       6       0       3       8       0       6
       8       0       9       8      87      90       4      87      93       4
      87      96       4      75      78       4      75      81       4      75
      84       4      69      72       4      60      63       4      60      66
       4      54      57      10      48      51       3     156     159      12
     150     153      12     144     147      14     135     138      12     129
     132      12     117     120       4     117     123       4     111     114
      10     105     108       3     207     210       4     207     213       4
     207     216       4     198     201       4     198     204       4     186
     189       4     186     192       4     186     195       4     180     183
       4     174     177      10     168     171       3     261     264       3
     261     267       3     246     249       4     246     252       4     237
     240       4     237     243       4     231     234      10     225     228
       3     333     336      12     327     330      12     321     324      12
     315     318      12     306     309      21     300     303      23     288
     291       4     288     294       4     282     285      10     276     279
       3     387     390       4     387     393       4     387     396       4
     375     378       4     375     381       4     375     384       4     369
     372       4     360     363       4     360     366       4     354     357
      10     348     351       3     453     456       8     453     459       8
     453     462       8     444     447       6     444     450       6     435
     438       4     435     441       4     426     429       4     426     432
       4     417     420       4     417     423       4     411     414      10
     405     408       3     483     486       4     483     489       4     477
     480      10     471     474       3     513     516      10     513     519
      10     507     510       3     534     537      10     534     540      10
     528     531       3     579     582      10     570     573       4     570
     576       4     561     564       4     561     567       4     552     555
      10     552     558      10     612     615      14     603     606      10
     603     609      10     597     600      10     591     594       3     645
     648      14     636     639      10     636     642      10     630     633
      10     624     627       3     663     666      10     663     669      10
     657     660       3     735     738      30     735     741      30     726
     729      30     726     732      30     717     720      30     708     711
      10     708     714      10     699     702       4     699     705       4
     690     693       4     690     696       4     684     687      10     678
     681       3     780     783      10     771     774       4     771     777
       4     762     765       4     762     768       4     753     756      10
     753     759      10     822     825      10     813     816       4     813
     819       4     804     807       4     804     810       4     795     798
      10     795     801      10     864     867      10     855     858       4
     855     861       4     846     849       4     846     852       4     837
     840      10     837     843      10     897     900      14     888     891
      10     888     894      10     882     885      10     876     879       3
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)
      42      45       1      42      48       2      27      30       1      27
      33       2      18      27       5      12      18       7      12      42
       5       0      12       9      99     102       1      99     105       2
      69      75       7      69      87       7      60      69       7      54
      60       7      54      99       5      48      54      11     162     165
       1     162     168       2     150     156      13     141     144      15
     141     150      16     135     141      16     129     135      13     126
     129      13     126     156      13     117     126      17     111     117
       7     111     162       5     105     111      11     219     222       1
     219     225       2     198     207       7     180     186       7     180
     198       7     174     180       7     174     219       5     168     174
      11     270     273       1     270     276       2     255     258       1
     255     261       2     246     255       5     237     246       7     231
     237       7     231     270       5     225     231      11     342     345
       1     342     348       2     333     339      18     327     333      13
     321     327      13     315     321      13     312     315      19     312
     339      20     306     312      22     300     306      24     297     300
      25     297     339      26     288     297      27     282     288       7
     282     342       5     276     282      11     399     402       1     399
     405       2     369     375       7     369     387       7     360     369
       7     354     360       7     354     399       5     348     354      11
     465     468       1     465     471       2     444     453       9     435
     444       7     426     435       7     417     426       7     411     417
       7     411     465       5     405     411      11     501     504       1
     501     507       2     492     495      28     492     498      28     483
     492       5     477     483       7     477     501       5     471     477
      11     522     525       1     522     528       2     513     522       5
     507     513      11     543     546       1     543     549       2     534
     543       5     528     534      11     585     588       1     585     591
       2     579     585       5     570     579       7     561     570       7
     552     561       7     549     552      11     549     579      11     618
     621       1     618     624       2     603     612      29     597     603
       7     597     618       5     591     597      11     651     654       1
     651     657       2     636     645      29     630     636       7     630
     651       5     624     630      11     672     675       1     672     678
       2     663     672       5     657     663      11     744     747       1
     744     750       2     723     726      31     723     735      31     717
     723      31     708     717      32     699     708       7     690     699
       7     684     690       7     684     744       5     678     684      11
     786     789       1     786     792       2     780     786       5     771
     780       7     762     771       7     753     762       7     750     753
      11     750     780      11     828     831       1     828     834       2
     822     828       5     813     822       7     804     813       7     795
     804       7     792     795      11     792     822      11     870     873
       1     870     876       2     864     870       5     855     864       7
     846     855       7     837     846       7     834     837      11     834
     864      11     903     906      28     903     909      28     888     897
      29     882     888       7     882     903       5     876     882      11
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)
      42      48      51       2      36      33      39       4      27      33
      36       2      27      33      39       2      24      18      27       5
      21      18      24       6      21      18      27       5      15      12
      18      10      15      12      42      11      12      18      21      12
      12      18      24      12       9       0      12      13       6       0
       9      14       6       0      12      13       3       0       6      14
       3       0       9      14       3       0      12      13       0      12
      15      15      99     105     108       2      93      87      96       6
      90      87      93       6      90      87      96       6      81      75
      84       6      78      75      81       6      78      75      84       6
      72      69      75      12      72      69      87      12      69      75
      78      12      69      75      81      12      69      75      84      12
      69      87      90      12      69      87      93      12      69      87
      96      12      66      60      69      12      63      60      66       6
      63      60      69      12      60      69      72      12      57      54
      60      19      57      54      99      20      54      60      63      12
      54      60      66      12      51      48      54      21      48      54
      57      22     162     168     171       2     153     150     156      25
     150     156     159      25     141     144     147      27     141     150
     153      28     138     135     141      28     132     129     135      25
     129     135     138      25     126     129     132      25     126     156
     159      25     123     117     126      32     120     117     123       6
     120     117     126      32     114     111     117      19     114     111
     162      20     111     117     120      12     111     117     123      12
     108     105     111      21     105     111     114      22     219     225
     228       2     213     207     216       6     210     207     213       6
     210     207     216       6     204     198     207      12     201     198
     204       6     201     198     207      12     198     207     210      12
     198     207     213      12     198     207     216      12     192     186
     195       6     189     186     192       6     189     186     195       6
     183     180     186      12     183     180     198      12     180     186
     189      12     180     186     192      12     180     186     195      12
     180     198     201      12     180     198     204      12     177     174
     180      19     177     174     219      20     174     180     183      12
     171     168     174      21     168     174     177      22     270     276
     279       2     264     261     267       4     255     261     264       2
     255     261     267       2     252     246     255       5     249     246
     252       6     249     246     255       5     243     237     246      12
     240     237     243       6     240     237     246      12     237     246
     249      12     237     246     252      12     234     231     237      19
     234     231     270      20     231     237     240      12     231     237
     243      12     228     225     231      21     225     231     234      22
     342     348     351       2     336     333     339      35     330     327
     333      25     327     333     336      25     324     321     327      25
     321     327     330      25     318     315     321      25     315     321
     324      25     312     315     318      38     309     306     312      41
     303     300     306      44     300     306     309      46     297     300
     303      48     294     288     297      52     291     288     294       6
     291     288     297      52     285     282     288      19     285     282
     342      20     282     288     291      12     282     288     294      12
     279     276     282      21     276     282     285      22     399     405
     408       2     393     387     396       6     390     387     393       6
     390     387     396       6     381     375     384       6     378     375
     381       6     378     375     384       6     372     369     375      12
     372     369     387      12     369     375     378      12     369     375
     381      12     369     375     384      12     369     387     390      12
     369     387     393      12     369     387     396      12     366     360
     369      12     363     360     366       6     363     360     369      12
     360     369     372      12     357     354     360      19     357     354
     399      20     354     360     363      12     354     360     366      12
     351     348     354      21     348     354     357      22     465     471
     474       2     459     453     462      14     456     453     459      14
     456     453     462      14     450     444     453      15     447     444
     450      56     447     444     453      15     444     453     456      13
     444     453     459      13     444     453     462      13     441     435
     444      12     438     435     441       6     438     435     444      12
     435     444     447      10     435     444     450      10     432     426
     435      12     429     426     432       6     429     426     435      12
     426     435     438      12     426     435     441      12     423     417
     426      12     420     417     423       6     420     417     426      12
     417     426     429      12     417     426     432      12     414     411
     417      19     414     411     465      20     411     417     420      12
     411     417     423      12     408     405     411      21     405     411
     414      22     501     507     510       2     489     483     492       5
     486     483     489       6     486     483     492       5     480     477
     483      19     480     477     501      20     477     483     486      12
     477     483     489      12     474     471     477      21     471     477
     480      22     522     528     531       2     519     513     522      20
     516     513     519      59     516     513     522      20     510     507
     513      21     507     513     516      22     507     513     519      22
     540     534     543      20     537     534     540      59     537     534
     543      20     531     528     534      21     528     534     537      22
     528     534     540      22     585     591     594       2     582     579
     585      20     576     570     579      12     573     570     576       6
     573     570     579      12     570     579     582      19     567     561
     570      12     564     561     567       6     564     561     570      12
     561     570     573      12     561     570     576      12     558     552
     561      19     555     552     558      59     555     552     561      19
     552     561     564      12     552     561     567      12     549     552
     555      22     549     552     558      22     549     579     582      22
     618     624     627       2     609     603     612      61     606     603
     609      59     606     603     612      61     603     612     615      62
     600     597     603      19     600     597     618      20     597     603
     606      19     597     603     609      19     594     591     597      21
     591     597     600      22     651     657     660       2     642     636
     645      61     639     636     642      59     639     636     645      61
     636     645     648      62     633     630     636      19     633     630
     651      20     630     636     639      19     630     636     642      19
     627     624     630      21     624     630     633      22     672     678
     681       2     669     663     672      20     666     663     669      59
     666     663     672      20     660     657     663      21     657     663
     666      22     657     663     669      22     738     735     741      64
     729     726     732      64     723     726     729      66     723     726
     732      66     723     735     738      66     723     735     741      66
     720     717     723      66     714     708     717      67     711     708
     714      59     711     708     717      67     708     717     720      68
     705     699     708      12     702     699     705       6     702     699
     708      12     699     708     711      19     699     708     714      19
     696     690     699      12     693     690     696       6     693     690
     699      12     690     699     702      12     690     699     705      12
     687     684     690      19     687     684     744      20     684     690
     693      12     684     690     696      12     681     678     684      21
     678     684     687      22     783     780     786      20     777     771
     780      12     774     771     777       6     774     771     780      12
     771     780     783      19     768     762     771      12     765     762
     768       6     765     762     771      12     762     771     774      12
     762     771     777      12     759     753     762      19     756     753
     759      59     756     753     762      19     753     762     765      12
     753     762     768      12     750     753     756      22     750     753
     759      22     750     780     783      22     825     822     828      20
     819     813     822      12     816     813     819       6     816     813
     822      12     813     822     825      19     810     804     813      12
     807     804     810       6     807     804     813      12     804     813
     816      12     804     813     819      12     801     795     804      19
     798     795     801      59     798     795     804      19     795     804
     807      12     795     804     810      12     792     795     798      22
     792     795     801      22     792     822     825      22     870     876
     879       2     867     864     870      20     861     855     864      12
     858     855     861       6     858     855     864      12     855     864
     867      19     852     846     855      12     849     846     852       6
     849     846     855      12     846     855     858      12     846     855
     861      12     843     837     846      19     840     837     843      59
     840     837     846      19     837     846     849      12     837     846
     852      12     834     837     840      22     834     837     843      22
     834     864     867      22     894     888     897      61     891     888
     894      59     891     888     897      61     888     897     900      62
     885     882     888      19     885     882     903      20     882     888
     891      19     882     888     894      19     879     876     882      21
     876     882     885      22
%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)
      45      42      48       1      42      48      54       3      30      27
      33       1      18      12      42       7      18      27      30       8
      18      27      33       9      12      18      27       7      12      42
      45       8      12      42      48       9       0      12      18      16
       0      12      42      17     102      99     105       1      99     105
     111       3      75      69      87      18      60      54      99       7
      60      69      75      18      60      69      87      18      54      60
      69      18      54      99     102       8      54      99     105       9
      48      54      60      23      48      54      99      24     165     162
     168       1     162     168     174       3     144     141     150      26
     141     150     156      29     135     141     144      26     135     141
     150      30     129     126     156      31     129     135     141      29
     126     129     135      31     126     156     150      31     117     111
     162       7     117     126     129      33     117     126     156      33
     111     117     126      34     111     162     165       8     111     162
     168       9     105     111     117      23     105     111     162      24
     222     219     225       1     219     225     231       3     186     180
     198      18     180     174     219       7     180     198     207      18
     174     180     186      18     174     180     198      18     174     219
     222       8     174     219     225       9     168     174     180      23
     168     174     219      24     273     270     276       1     270     276
     282       3     258     255     261       1     246     255     258       8
     246     255     261       9     237     231     270       7     237     246
     255       7     231     237     246      18     231     270     273       8
     231     270     276       9     225     231     237      23     225     231
     270      24     345     342     348       1     342     348     354       3
     327     333     339      36     321     327     333      31     315     312
     339      37     315     321     327      31     312     315     321      39
     312     339     333      40     306     312     315      42     306     312
     339      43     300     297     339      45     300     306     312      47
     297     300     306      49     297     339     312      50     297     339
     333      51     288     282     342       7     288     297     300      53
     288     297     339      54     282     288     297      55     282     342
     345       8     282     342     348       9     276     282     288      23
     276     282     342      24     402     399     405       1     399     405
     411       3     375     369     387      18     360     354     399       7
     360     369     375      18     360     369     387      18     354     360
     369      18     354     399     402       8     354     399     405       9
     348     354     360      23     348     354     399      24     468     465
     471       1     465     471     477       3     435     444     453      16
     426     435     444      18     417     411     465       7     417     426
     435      18     411     417     426      18     411     465     468       8
     411     465     471       9     405     411     417      23     405     411
     465      24     504     501     507       1     501     507     513       3
     495     492     498      57     483     477     501       7     483     492
     495      58     483     492     498      58     477     483     492       7
     477     501     504       8     477     501     507       9     471     477
     483      23     471     477     501      24     525     522     528       1
     522     528     534       3     513     522     525       8     513     522
     528       9     507     513     522      24     546     543     549       1
     543     549     552       3     543     549     579       3     534     543
     546       8     534     543     549       9     528     534     543      24
     588     585     591       1     585     591     597       3     579     585
     588       8     579     585     591       9     570     579     585       7
     561     570     579      18     552     549     579      60     552     561
     570      18     549     552     561      23     549     579     570      23
     549     579     585      24     621     618     624       1     618     624
     630       3     603     597     618       7     597     603     612      63
     597     618     621       8     597     618     624       9     591     597
     603      23     591     597     618      24     654     651     657       1
     651     657     663       3     636     630     651       7     630     636
     645      63     630     651     654       8     630     651     657       9
     624     630     636      23     624     630     651      24     675     672
     678       1     672     678     684       3     663     672     675       8
     663     672     678       9     657     663     672      24     747     744
     750       1     744     750     753       3     744     750     780       3
     726     723     735      65     717     723     726      65     717     723
     735      65     708     717     723      69     699     708     717      70
     690     684     744       7     690     699     708      18     684     690
     699      18     684     744     747       8     684     744     750       9
     678     684     690      23     678     684     744      24     789     786
     792       1     786     792     795       3     786     792     822       3
     780     786     789       8     780     786     792       9     771     780
     786       7     762     771     780      18     753     750     780      60
     753     762     771      18     750     753     762      23     750     780
     771      23     750     780     786      24     831     828     834       1
     828     834     837       3     828     834     864       3     822     828
     831       8     822     828     834       9     813     822     828       7
     804     813     822      18     795     792     822      60     795     804
     813      18     792     795     804      23     792     822     813      23
     792     822     828      24     873     870     876       1     870     876
     882       3     864     870     873       8     864     870     876       9
     855     864     870       7     846     855     864      18     837     834
     864      60     837     846     855      18     834     837     846      23
     834     864     855      23     834     864     870      24     906     903
     909      57     888     882     903       7     882     888     897      63
     882     903     906      58     882     903     909      58     876     882
     888      23     876     882     903      24
%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)
      45      42      48      51       1      45      42     -48      51       2
      42      48      54      57       3      30      27      33      36       1
      30      27     -33      36       2      30      27      33      39       1
      30      27     -33      39       2      24      18      12      42       8
      24      18      27      30       9      24      18     -27      30      10
      24      18      27      33       3      21      18      12      42       8
      21      18      27      30       9      21      18     -27      30       3
      21      18     -27      30      10      21      18      27      33       3
      18      27      33      36       2      18      27      33      39       2
      15      12      18      21       8      15      12      18      24       8
      15      12      18      27       8      15      12      42      45       3
      15      12      42      48       3      12      42      48      51       2
       9       0      12      15       8       9       0      12      18       8
       9       0      12      42       8       6       0      12      15       8
       6       0      12      18       8       6       0      12      42       8
       3       0      12      15       8       3       0      12      18       8
       3       0      12      42       8       0      12      18      21       8
       0      12      18      24       8     102      99     105     108       1
     102      99    -105     108       2      99     105     111     114       3
      84      75      69      87      13      81      75      69      87      13
      78      75      69      87      13      75      69      87      90      13
      75      69      87      93      13      75      69      87      96      13
      72      69      75      78      14      72      69      75      81      14
      72      69      75      84      14      72      69      87      90      14
      72      69      87      93      14      72      69      87      96      14
      66      60      54      99       8      66      60      69      72      14
      66      60      69      75      13      66      60      69      87      13
      63      60      54      99       8      63      60      69      72      14
      63      60      69      75      13      63      60      69      87      13
      60      69      75      78      13      60      69      75      81      13
      60      69      75      84      13      60      69      87      90      13
      60      69      87      93      13      60      69      87      96      13
      57      54      60      63       8      57      54      60      66       8
      57      54      60      69       8      57      54      99     102       9
      57      54     -99     102      10      57      54      99     105       3
      54      60      69      72      13      54      99     105     108       2
      51      48      54      57       3      51      48      54      60       3
      51      48      54      99       3      48      54      60      63       8
      48      54      60      66       8     165     162     168     171       1
     165     162    -168     171       2     162     168     174     177       3
     153     150     156     159      20     147     144     141     150      21
     144     141     150     153      20     141     150     156     159      20
     138     135     141     144      20     138     135     141     150      20
     135     141     144     147      21     135     141     150     153      20
     132     129     126     156      20     132     129     135     138      20
     132     129     135     141      20     129     126     156     159      20
     126     129     135     138      20     126     156     150     153      20
     123     117     111     162       8     123     117     126     129       3
     123     117     126     156       3     120     117     111     162       8
     120     117     126     129       3     120     117     126     156       3
     117     126     129     132      20     117     126     156     159      20
     114     111     117     120       8     114     111     117     123       8
     114     111     117     126       8     114     111     162     165       9
     114     111    -162     165      10     114     111     162     168       3
     111     162     168     171       2     108     105     111     114       3
     108     105     111     117       3     108     105     111     162       3
     105     111     117     120       8     105     111     117     123       8
     222     219     225     228       1     222     219    -225     228       2
     219     225     231     234       3     204     198     207     210      14
     204     198     207     213      14     204     198     207     216      14
     201     198     207     210      14     201     198     207     213      14
     201     198     207     216      14     195     186     180     198      13
     192     186     180     198      13     189     186     180     198      13
     186     180     198     201      13     186     180     198     204      13
     183     180     174     219       8     183     180     186     189      14
     183     180     186     192      14     183     180     186     195      14
     183     180     198     201      14     183     180     198     204      14
     183     180     198     207      13     180     198     207     210      13
     180     198     207     213      13     180     198     207     216      13
     177     174     180     183       8     177     174     180     186       8
     177     174     180     198       8     177     174     219     222       9
     177     174    -219     222      10     177     174     219     225       3
     174     180     186     189      13     174     180     186     192      13
     174     180     186     195      13     174     180     198     201      13
     174     180     198     204      13     174     219     225     228       2
     171     168     174     177       3     171     168     174     180       3
     171     168     174     219       3     168     174     180     183       8
     273     270     276     279       1     273     270    -276     279       2
     270     276     282     285       3     258     255     261     264       1
     258     255    -261     264       2     258     255     261     267       1
     258     255    -261     267       2     252     246     255     258       9
     252     246    -255     258       3     252     246    -255     258      10
     252     246     255     261       3     249     246     255     258       9
     249     246    -255     258       3     249     246    -255     258      10
     249     246     255     261       3     246     255     261     264       2
     246     255     261     267       2     243     237     231     270       8
     243     237     246     249      14     243     237     246     252      14
     243     237     246     255       8     240     237     231     270       8
     240     237     246     249      14     240     237     246     252      14
     240     237     246     255       8     234     231     237     240       8
     234     231     237     243       8     234     231     237     246       8
     234     231     270     273       9     234     231    -270     273      10
     234     231     270     276       3     231     237     246     249      13
     231     237     246     252      13     231     270     276     279       2
     228     225     231     234       3     228     225     231     237       3
     228     225     231     270       3     225     231     237     240       8
     225     231     237     243       8     345     342     348     351       1
     345     342    -348     351       2     342     348     354     357       3
     330     327     333     336      20     330     327     333     339      20
     324     321     327     330      20     324     321     327     333      20
     321     327     333     336      20     318     315     312     339      20
     318     315     321     324      20     318     315     321     327      20
     315     321     327     330      20     312     315     321     324      20
     312     339     333     336      23     309     306     312     315      24
     309     306     312     339      24     306     312     315     318      20
     303     300     297     339      25     303     300     306     309      26
     303     300     306     312      26     297     300     306     309      26
     297     339     333     336      23     294     288     282     342       8
     294     288     297     300       3     294     288     297     339       3
     291     288     282     342       8     291     288     297     300       3
     291     288     297     339       3     288     297     300     303      25
     285     282     288     291       8     285     282     288     294       8
     285     282     288     297       8     285     282     342     345       9
     285     282    -342     345      10     285     282     342     348       3
     282     342     348     351       2     279     276     282     285       3
     279     276     282     288       3     279     276     282     342       3
     276     282     288     291       8     276     282     288     294       8
     402     399     405     408       1     402     399    -405     408       2
     399     405     411     414       3     384     375     369     387      13
     381     375     369     387      13     378     375     369     387      13
     375     369     387     390      13     375     369     387     393      13
     375     369     387     396      13     372     369     375     378      14
     372     369     375     381      14     372     369     375     384      14
     372     369     387     390      14     372     369     387     393      14
     372     369     387     396      14     366     360     354     399       8
     366     360     369     372      14     366     360     369     375      13
     366     360     369     387      13     363     360     354     399       8
     363     360     369     372      14     363     360     369     375      13
     363     360     369     387      13     360     369     375     378      13
     360     369     375     381      13     360     369     375     384      13
     360     369     387     390      13     360     369     387     393      13
     360     369     387     396      13     357     354     360     363       8
     357     354     360     366       8     357     354     360     369       8
     357     354     399     402       9     357     354    -399     402      10
     357     354     399     405       3     354     360     369     372      13
     354     399     405     408       2     351     348     354     357       3
     351     348     354     360       3     351     348     354     399       3
     348     354     360     363       8     348     354     360     366       8
     468     465     471     474       1     468     465    -471     474       2
     465     471     477     480       3     450     444     453     456       8
     450     444     453     459       8     450     444     453     462       8
     447     444     453     456       8     447     444     453     459       8
     447     444     453     462       8     441     435     444     447       8
     441     435     444     450       8     441     435     444     453       8
     438     435     444     447       8     438     435     444     450       8
     438     435     444     453       8     435     444     453     456       8
     435     444     453     459       8     435     444     453     462       8
     432     426     435     438      14     432     426     435     441      14
     432     426     435     444      13     429     426     435     438      14
     429     426     435     441      14     429     426     435     444      13
     426     435     444     447       8     426     435     444     450       8
     423     417     411     465       8     423     417     426     429      14
     423     417     426     432      14     423     417     426     435      13
     420     417     411     465       8     420     417     426     429      14
     420     417     426     432      14     420     417     426     435      13
     417     426     435     438      13     417     426     435     441      13
     414     411     417     420       8     414     411     417     423       8
     414     411     417     426       8     414     411     465     468       9
     414     411    -465     468      10     414     411     465     471       3
     411     417     426     429      13     411     417     426     432      13
     411     465     471     474       2     408     405     411     414       3
     408     405     411     417       3     408     405     411     465       3
     405     411     417     420       8     405     411     417     423       8
     504     501     507     510       1     504     501    -507     510       2
     501     507     513     516       3     501     507     513     519       3
     489     483     477     501       8     489     483     492     495       3
     489     483     492     498       3     486     483     477     501       8
     486     483     492     495       3     486     483     492     498       3
     480     477     483     486       8     480     477     483     489       8
     480     477     483     492       8     480     477     501     504       9
     480     477    -501     504      10     480     477     501     507       3
     477     501     507     510       2     474     471     477     480       3
     474     471     477     483       3     474     471     477     501       3
     471     477     483     486       8     471     477     483     489       8
     525     522     528     531       1     525     522    -528     531       2
     522     528     534     537       3     522     528     534     540       3
     519     513     522     525       9     519     513    -522     525      10
     519     513     522     528       3     516     513     522     525       9
     516     513    -522     525      10     516     513     522     528       3
     513     522     528     531       2     510     507     513     516       3
     510     507     513     519       3     510     507     513     522       3
     543     549     552     555       3     543     549     552     558       3
     543     549     579     582       3     540     534     543     546       9
     540     534    -543     546      10     540     534     543     549       3
     537     534     543     546       9     537     534    -543     546      10
     537     534     543     549       3     531     528     534     537       3
     531     528     534     540       3     531     528     534     543       3
     588     585     591     594       1     588     585    -591     594       2
     585     591     597     600       3     582     579     585     588       9
     582     579    -585     588      10     582     579     585     591       3
     579     585     591     594       2     576     570     579     582       8
     576     570     579     585       8     573     570     579     582       8
     573     570     579     585       8     567     561     570     573      14
     567     561     570     576      14     567     561     570     579      13
     564     561     570     573      14     564     561     570     576      14
     564     561     570     579      13     561     570     579     582       8
     558     552     549     579       3     558     552     561     564       8
     558     552     561     567       8     558     552     561     570       8
     555     552     549     579       3     555     552     561     564       8
     555     552     561     567       8     555     552     561     570       8
     552     549     579     582       3     552     561     570     573      13
     552     561     570     576      13     549     552     561     564       8
     549     552     561     567       8     549     579     570     573       8
     549     579     570     576       8     621     618     624     627       1
     621     618    -624     627       2     618     624     630     633       3
     609     603     597     618       8     609     603     612     615      28
     606     603     597     618       8     606     603     612     615      28
     600     597     603     606       8     600     597     603     609       8
     600     597     603     612      29     600     597     618     621       9
     600     597    -618     621      10     600     597     618     624       3
     597     603     612     615      29     597     603    -612     615      13
     597     618     624     627       2     594     591     597     600       3
     594     591     597     603       3     594     591     597     618       3
     591     597     603     606       8     591     597     603     609       8
     654     651     657     660       1     654     651    -657     660       2
     651     657     663     666       3     651     657     663     669       3
     642     636     630     651       8     642     636     645     648      28
     639     636     630     651       8     639     636     645     648      28
     633     630     636     639       8     633     630     636     642       8
     633     630     636     645      29     633     630     651     654       9
     633     630    -651     654      10     633     630     651     657       3
     630     636     645     648      29     630     636    -645     648      13
     630     651     657     660       2     627     624     630     633       3
     627     624     630     636       3     627     624     630     651       3
     624     630     636     639       8     624     630     636     642       8
     675     672     678     681       1     675     672    -678     681       2
     672     678     684     687       3     669     663     672     675       9
     669     663    -672     675      10     669     663     672     678       3
     666     663     672     675       9     666     663    -672     675      10
     666     663     672     678       3     663     672     678     681       2
     660     657     663     666       3     660     657     663     669       3
     660     657     663     672       3     744     750     753     756       3
     744     750     753     759       3     744     750     780     783       3
     732     726     723     735      30     729     726     723     735      30
     726     723     735     738      30     726     723     735     741      30
     720     717     723     726      30     720     717     723     735      30
     717     723     726     729      30     717     723     726     732      30
     717     723     735     738      30     717     723     735     741      30
     714     708     717     720      31     714     708     717     723      31
     711     708     717     720      31     711     708     717     723      31
     705     699     708     711       8     705     699     708     714       8
     705     699     708     717       8     702     699     708     711       8
     702     699     708     714       8     702     699     708     717       8
     699     708     717     720      31     696     690     684     744       8
     696     690     699     702      14     696     690     699     705      14
     696     690     699     708      13     693     690     684     744       8
     693     690     699     702      14     693     690     699     705      14
     693     690     699     708      13     690     699     708     711       8
     690     699     708     714       8     687     684     690     693       8
     687     684     690     696       8     687     684     690     699       8
     687     684     744     747       9     687     684    -744     747      10
     687     684     744     750       3     684     690     699     702      13
     684     690     699     705      13     681     678     684     687       3
     681     678     684     690       3     681     678     684     744       3
     678     684     690     693       8     678     684     690     696       8
     786     792     795     798       3     786     792     795     801       3
     786     792     822     825       3     783     780     786     789       9
     783     780    -786     789      10     783     780     786     792       3
     777     771     780     783       8     777     771     780     786       8
     774     771     780     783       8     774     771     780     786       8
     768     762     771     774      14     768     762     771     777      14
     768     762     771     780      13     765     762     771     774      14
     765     762     771     777      14     765     762     771     780      13
     762     771     780     783       8     759     753     750     780       3
     759     753     762     765       8     759     753     762     768       8
     759     753     762     771       8     756     753     750     780       3
     756     753     762     765       8     756     753     762     768       8
     756     753     762     771       8     753     750     780     783       3
     753     762     771     774      13     753     762     771     777      13
     750     753     762     765       8     750     753     762     768       8
     750     780     771     774       8     750     780     771     777       8
     828     834     837     840       3     828     834     837     843       3
     828     834     864     867       3     825     822     828     831       9
     825     822    -828     831      10     825     822     828     834       3
     819     813     822     825       8     819     813     822     828       8
     816     813     822     825       8     816     813     822     828       8
     810     804     813     816      14     810     804     813     819      14
     810     804     813     822      13     807     804     813     816      14
     807     804     813     819      14     807     804     813     822      13
     804     813     822     825       8     801     795     792     822       3
     801     795     804     807       8     801     795     804     810       8
     801     795     804     813       8     798     795     792     822       3
     798     795     804     807       8     798     795     804     810       8
     798     795     804     813       8     795     792     822     825       3
     795     804     813     816      13     795     804     813     819      13
     792     795     804     807       8     792     795     804     810       8
     792     822     813     816       8     792     822     813     819       8
     873     870     876     879       1     873     870    -876     879       2
     870     876     882     885       3     867     864     870     873       9
     867     864    -870     873      10     867     864     870     876       3
     864     870     876     879       2     861     855     864     867       8
     861     855     864     870       8     858     855     864     867       8
     858     855     864     870       8     852     846     855     858      14
     852     846     855     861      14     852     846     855     864      13
     849     846     855     858      14     849     846     855     861      14
     849     846     855     864      13     846     855     864     867       8
     843     837     834     864       3     843     837     846     849       8
     843     837     846     852       8     843     837     846     855       8
     840     837     834     864       3     840     837     846     849       8
     840     837     846     852       8     840     837     846     855       8
     837     834     864     867       3     837     846     855     858      13
     837     846     855     861      13     834     837     846     849       8
     834     837     846     852       8     834     864     855     858       8
     834     864     855     861       8     894     888     882     903       8
     894     888     897     900      28     891     888     882     903       8
     891     888     897     900      28     885     882     888     891       8
     885     882     888     894       8     885     882     888     897      29
     885     882     903     906       3     885     882     903     909       3
     882     888     897     900      29     882     888    -897     900      13
     879     876     882     885       3     879     876     882     888       3
     879     876     882     903       3     876     882     888     891       8
     876     882     888     894       8      27      36     -33     -39      33
      42      54     -48     -51      34     126     150    -156    -159      34
     141     156    -150    -153      34     129     141    -135    -138      34
     126     135    -129    -132      34      99     111    -105    -108      34
     162     174    -168    -171      34     255     264    -261    -267      33
     219     231    -225    -228      34     327     339    -333    -336      34
     321     333    -327    -330      34     315     327    -321    -324      34
     312     321    -315    -318      34     300     312    -306    -309      33
     297     306    -300    -303      34     270     282    -276    -279      34
     342     354    -348    -351      34     399     411    -405    -408      34
     465     477    -471    -474      34     501     513    -507    -510      34
     522     534    -528    -531      34     585     597    -591    -594      34
     618     630    -624    -627      34     651     663    -657    -660      34
     723     738    -735    -741      33     723     729    -726    -732      33
     708     723    -717    -720      33     672     684    -678    -681      34
     870     882    -876    -879      34
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%FORMAT(10I8)
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      42      48     -54      60       5      42      48     -54      60       6
      42      48      54      99       7      27      18      12      42       8
      18      12      42      45       3      18      12      42      48      11
      18      12     -42      48      12      12      18      27      30       3
      12      18      27      33      11      12      18     -27      33      12
      12      42      48      54       2       0      12      18      27       8
       0      12      42      45       3       0      12      42      48       3
     102      99     105     111       2      99     105     111     117       4
      99     105    -111     117       5      99     105    -111     117       6
      99     105     111     162       7      69      60      54      99       8
      60      54      99     102       3      60      54      99     105      11
      60      54     -99     105      12      54      60      69      75      15
      54      60     -69      75      16      54      60     -69      75      17
      54      60      69      87      15      54      60     -69      87      16
      54      60     -69      87      17      54      99     105     111       2
      48      54      60      69       8      48      54      99     102       3
      48      54      99     105      18      48      54     -99     105      19
     165     162     168     174       2     162     168     174     180       4
     162     168    -174     180       5     162     168    -174     180       6
     162     168     174     219       7     144     141     150     156      20
     135     129     126     156      20     135     141    -150     156      20
     129     126     156     150      20     129     135     141     144      20
     129     135    -141     150      20     126     117     111     162       8
     126     129     135     141      20     126     156    -150     141      20
     117     111     162     165       3     117     111     162     168      11
     117     111    -162     168      12     117     126     129     135      20
     117     126     156     150      20     111     117     126     129       3
     111     117     126     156       3     111     162     168     174       2
     105     111     117     126       8     105     111     162     165       3
     105     111     162     168      18     105     111    -162     168      19
     222     219     225     231       2     219     225     231     237       4
     219     225    -231     237       5     219     225    -231     237       6
     219     225     231     270       7     198     180     174     219       8
     186     180     174     219       8     186     180     198     207      15
     186     180    -198     207      16     186     180    -198     207      17
     180     174     219     222       3     180     174     219     225      11
     180     174    -219     225      12     174     180     198     207      15
     174     180    -198     207      16     174     180    -198     207      17
     174     219     225     231       2     168     174     180     186       8
     168     174     180     198       8     168     174     219     222       3
     168     174     219     225      18     168     174    -219     225      19
     273     270     276     282       2     270     276     282     288       4
     270     276    -282     288       5     270     276    -282     288       6
     270     276     282     342       7     246     237     231     270       8
     237     231     270     273       3     237     231     270     276      11
     237     231    -270     276      12     237     246     255     258       3
     237     246     255     261      11     237     246    -255     261      12
     231     237     246     255       8     231     270     276     282       2
     225     231     237     246       8     225     231     270     273       3
     225     231     270     276      18     225     231    -270     276      19
     345     342     348     354       2     342     348     354     360       4
     342     348    -354     360       5     342     348    -354     360       6
     342     348     354     399       7     321     315     312     339      20
     321     327    -333     339      20     315     312     339     333      22
     315     321    -327     333      20     312     315     321     327      20
     312     339    -333     327      23     306     300    -297     339      25
     306     312     315     321      20     306     312     339     333      22
     300     297    -339     312      27     300     297     339     333      27
     300     306     312     315      24     300     306    -312     339      24
     297     288     282     342       8     297     300    -306     312      26
     297     339    -312     306      22     297     339     312     315      22
     297     339     333     327      23     288     282     342     345       3
     288     282     342     348      11     288     282    -342     348      12
     288     297     300     306      25     288     297     339     312      27
     288     297     339     333      27     282     288     297     300       3
     282     288     297     339       3     282     342     348     354       2
     276     282     288     297       8     276     282     342     345       3
     276     282     342     348      18     276     282    -342     348      19
     402     399     405     411       2     399     405     411     417       4
     399     405    -411     417       5     399     405    -411     417       6
     399     405     411     465       7     369     360     354     399       8
     360     354     399     402       3     360     354     399     405      11
     360     354    -399     405      12     354     360     369     375      15
     354     360    -369     375      16     354     360    -369     375      17
     354     360     369     387      15     354     360    -369     387      16
     354     360    -369     387      17     354     399     405     411       2
     348     354     360     369       8     348     354     399     402       3
     348     354     399     405      18     348     354    -399     405      19
     468     465     471     477       2     465     471     477     483       4
     465     471    -477     483       5     465     471    -477     483       6
     465     471     477     501       7     426     417     411     465       8
     426     435     444     453       8     417     411     465     468       3
     417     411     465     471      11     417     411    -465     471      12
     417     426     435     444      15     417     426    -435     444      16
     417     426    -435     444      17     411     417     426     435      15
     411     417    -426     435      16     411     417    -426     435      17
     411     465     471     477       2     405     411     417     426       8
     405     411     465     468       3     405     411     465     471      18
     405     411    -465     471      19     504     501     507     513       2
     501     507     513     522       7     492     483     477     501       8
     483     477     501     504       3     483     477     501     507      11
     483     477    -501     507      12     477     483     492     495       3
     477     483     492     498       3     477     501     507     513       2
     471     477     483     492       8     471     477     501     504       3
     471     477     501     507      18     471     477    -501     507      19
     525     522     528     534       2     522     528     534     543       7
     513     522     528     534       2     507     513     522     525       3
     507     513     522     528      18     507     513    -522     528      19
     546     543     549     552       2     546     543     549     579       2
     543     549     552     561       4     543     549    -552     561       5
     543     549    -552     561       6     543     549     579     570       4
     543     549    -579     570       5     543     549    -579     570       6
     543     549     579     585       7     534     543     549     552       2
     534     543     549     579       2     528     534     543     546       3
     528     534     543     549      18     528     534    -543     549      19
     588     585     591     597       2     585     591     597     603       4
     585     591    -597     603       5     585     591    -597     603       6
     585     591     597     618       7     579     585     591     597       2
     570     579     585     588       3     570     579     585     591      11
     570     579    -585     591      12     561     552    -549     579       3
     561     570     579     585       8     552     549    -579     570       3
     552     549     579     585       3     552     561    -570     579      15
     552     561    -570     579      16     552     561    -570     579      17
     549     552    -561     570       8     549     579    -570     561       8
     549     579     585     588       3     549     579     585     591      18
     549     579    -585     591      19     621     618     624     630       2
     618     624     630     636       4     618     624    -630     636       5
     618     624    -630     636       6     618     624     630     651       7
     612     603     597     618       8     603     597     618     621       3
     603     597     618     624      11     603     597    -618     624      12
     597     618     624     630       2     591     597     603     612       8
     591     597     618     621       3     591     597     618     624      18
     591     597    -618     624      19     654     651     657     663       2
     651     657     663     672       7     645     636     630     651       8
     636     630     651     654       3     636     630     651     657      11
     636     630    -651     657      12     630     651     657     663       2
     624     630     636     645       8     624     630     651     654       3
     624     630     651     657      18     624     630    -651     657      19
     675     672     678     684       2     672     678     684     690       4
     672     678    -684     690       5     672     678    -684     690       6
     672     678     684     744       7     663     672     678     684       2
     657     663     672     675       3     657     663     672     678      18
     657     663    -672     678      19     747     744     750     753       2
     747     744     750     780       2     744     750     753     762       4
     744     750    -753     762       5     744     750    -753     762       6
     744     750     780     771       4     744     750    -780     771       5
     744     750    -780     771       6     744     750     780     786       7
     708     717     723     726      30     708     717     723     735      30
     699     690     684     744       8     699     708     717     723      31
     690     684     744     747       3     690     684     744     750      11
     690     684    -744     750      12     690     699     708     717       8
     684     690     699     708      15     684     690    -699     708      16
     684     690    -699     708      17     684     744     750     753       2
     684     744     750     780       2     678     684     690     699       8
     678     684     744     747       3     678     684     744     750      18
     678     684    -744     750      19     789     786     792     795       2
     789     786     792     822       2     786     792     795     804       4
     786     792    -795     804       5     786     792    -795     804       6
     786     792     822     813       4     786     792    -822     813       5
     786     792    -822     813       6     786     792     822     828       7
     780     786     792     795       2     780     786     792     822       2
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     762     771     780     786       8     753     750    -780     771       3
     753     750     780     786       3     753     762    -771     780      15
     753     762    -771     780      16     753     762    -771     780      17
     750     753    -762     771       8     750     780    -771     762       8
     750     780     786     789       3     750     780     786     792      18
     750     780    -786     792      19     831     828     834     837       2
     831     828     834     864       2     828     834     837     846       4
     828     834    -837     846       5     828     834    -837     846       6
     828     834     864     855       4     828     834    -864     855       5
     828     834    -864     855       6     828     834     864     870       7
     822     828     834     837       2     822     828     834     864       2
     813     822     828     831       3     813     822     828     834      11
     813     822    -828     834      12     804     795    -792     822       3
     804     813     822     828       8     795     792    -822     813       3
     795     792     822     828       3     795     804    -813     822      15
     795     804    -813     822      16     795     804    -813     822      17
     792     795    -804     813       8     792     822    -813     804       8
     792     822     828     831       3     792     822     828     834      18
     792     822    -828     834      19     873     870     876     882       2
     870     876     882     888       4     870     876    -882     888       5
     870     876    -882     888       6     870     876     882     903       7
     864     870     876     882       2     855     864     870     873       3
     855     864     870     876      11     855     864    -870     876      12
     846     837    -834     864       3     846     855     864     870       8
     837     834    -864     855       3     837     834     864     870       3
     837     846    -855     864      15     837     846    -855     864      16
     837     846    -855     864      17     834     837    -846     855       8
     834     864    -855     846       8     834     864     870     873       3
     834     864     870     876      18     834     864    -870     876      19
     897     888     882     903       8     888     882     903     906       3
     888     882     903     909       3     876     882     888     897       8
     876     882     903     906       3     876     882     903     909       3
      12      48     -42     -45      32      18      33     -27     -30      32
      54     105     -99    -102      32     111     168    -162    -165      32
     135     150    -141    -144      34     129     156    -126    -117      34
     174     225    -219    -222      32     231     276    -270    -273      32
     246     261    -255    -258      32     282     348    -342    -345      32
     300     339    -297    -288      34     354     405    -399    -402      32
     411     471    -465    -468      32     477     507    -501    -504      32
     483     495    -492    -498      32     513     528    -522    -525      32
     534     549    -543    -546      32     579     591    -585    -588      32
     543     552    -549    -579      33     597     624    -618    -621      32
     630     657    -651    -654      32     663     678    -672    -675      32
     684     750    -744    -747      32     717     726    -723    -735      32
     780     792    -786    -789      32     744     753    -750    -780      33
     822     834    -828    -831      32     786     795    -792    -822      33
     864     876    -870    -873      32     828     837    -834    -864      33
     882     906    -903    -909      32
%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
       2       3       4       5       6       7       8       9      10      15
      16      17       3       4       5       6       7      15       4       5
       6       7      15       5       6       7      15       6       7       8
       9      10      11      12      15      16      17      18      19       7
       8       9      10      15      16      17       8       9      10      11
      12      13      14      15      16      17       9      10      11      12
      15      10      11      12      15      11      12      13      14      15
      12      13      14      13      14      14       0      16      17      18
      19      20      21      34      17      18      19      18      19      20
      21      22      23      24      34      35      36      19      20      21
      34      20      21      22      23      24      25      26      30      34
      35      36      37      38      21      22      23      24      34      35
      36      22      23      24      25      26      27      28      29      30
      31      32      33      34      35      36      23      24      25      26
      30      34      24      25      26      30      34      25      26      27
      28      29      30      31      32      33      34      26      27      28
      29      30      31      32      33      27      28      29      30      31
      32      33      28      29      30      29      30      30      31      32
      33      32      33      33       0      35      36      37      38      39
      40      55      36      37      38      37      38      39      40      41
      42      43      55      56      57      38      39      40      55      39
      40      41      42      43      44      53      55      56      57      58
      59      40      41      42      43      55      56      57      41      42
      43      44      45      46      51      53      54      55      56      57
      42      43      44      53      55      43      44      53      55      44
      45      46      47      48      51      52      53      54      55      45
      46      47      48      49      51      53      54      46      47      48
      53      47      48      49      50      51      52      53      48      49
      51      49      50      51      52      53      54      50      51      52
      53      51      52      53      54      53      54      54       0      56
      57      58      59      60      61      74      57      58      59      58
      59      60      61      62      63      67      74      75      76      59
      60      61      74      60      61      62      63      64      65      66
      67      68      69      70      74      75      76      77      78      61
      62      63      67      74      75      76      62      63      64      65
      66      67      68      69      70      71      72      73      74      75
      76      63      64      65      66      67      68      69      70      74
      64      65      66      67      68      69      70      74      65      66
      67      66      67      67      68      69      70      71      72      73
      74      69      70      71      72      73      70      71      72      73
      71      72      73      72      73      73       0      75      76      77
      78      79      80      91      76      77      78      77      78      79
      80      81      82      83      91      92      93      78      79      80
      91      79      80      81      82      83      84      85      86      91
      92      93      94      95      80      81      82      83      91      92
      93      81      82      83      84      85      86      87      88      91
      92      93      82      83      84      85      86      91      83      84
      85      86      91      84      85      86      87      88      89      90
      91      85      86      87      88      86      87      88      87      88
      89      90      88      89      90      89      90      90       0      92
      93      94      95      96      97     115      93      94      95      94
      95      96      97      98      99     100     115     116     117      95
      96      97     115      96      97      98      99     100     101     114
     115     116     117     118     119      97      98      99     100     115
     116     117      98      99     100     101     102     103     105     112
     114     115     116     117      99     100     101     114     115     100
     101     114     115     101     102     103     104     105     106     110
     112     113     114     115     102     103     104     105     106     112
     114     103     104     105     114     104     105     106     107     108
     112     114     105     106     114     106     107     108     109     110
     112     113     114     107     108     109     110     111     112     114
     108     109     110     114     109     110     111     112     113     114
     110     111     112     111     112     113     114     112     113     114
     113     114     114       0     116     117     118     119     120     121
     134     117     118     119     118     119     120     121     122     123
     124     134     135     136     119     120     121     134     120     121
     122     123     124     125     126     130     134     135     136     137
     138     121     122     123     124     134     135     136     122     123
     124     125     126     127     128     129     130     131     132     133
     134     135     136     123     124     125     126     130     134     124
     125     126     130     134     125     126     127     128     129     130
     131     132     133     134     126     127     128     129     130     131
     132     133     127     128     129     130     131     132     133     128
     129     130     129     130     130     131     132     133     132     133
     133       0     135     136     137     138     139     140     156     136
     137     138     137     138     139     140     141     142     143     156
     157     158     138     139     140     156     139     140     141     142
     143     144     145     146     156     157     158     159     160     140
     141     142     143     156     157     158     141     142     143     144
     145     146     147     148     149     156     157     158     142     143
     144     145     146     156     143     144     145     146     156     144
     145     146     147     148     149     150     151     152     156     145
     146     147     148     149     146     147     148     149     147     148
     149     150     151     152     153     154     155     148     149     150
     151     152     149     150     151     152     150     151     152     153
     154     155     151     152     153     154     155     152     153     154
     155     153     154     155     154     155     155       0     157     158
     159     160     161     162     168     158     159     160     159     160
     161     162     163     164     165     168     169     170     160     161
     162     168     161     162     163     164     165     166     167     168
     169     170     171     172     162     163     164     165     168     169
     170     163     164     165     166     167     168     169     170     164
     165     166     167     168     165     166     167     168     166     167
     168     167       0     169     170     171     172     173     174     175
     170     171     172     171     172     173     174     175     176     177
     172     173     174     175     173     174     175     176     177     178
     179     174     175     176     177     175     176     177     176     177
     178     179     180     181     182     177     178     179     178     179
     180     181     182     183     184     179     180     181     182     180
     181     182     183     184     185     194     181     182     183     184
     182     183     184     183     184     185     186     187     188     191
     194     195     196     184     185     194     185     186     187     188
     189     190     191     192     193     194     195     196     197     198
     186     187     188     189     190     191     192     193     194     195
     196     187     188     189     190     191     194     188     189     190
     191     194     189     190     191     192     193     194     195     196
     190     191     192     193     194     191     192     193     194     192
     193     194     195     196     197     198     193     194     195     196
     194     195     196     195     196     197     198     199     200     196
     197     198     197     198     199     200     201     202     207     198
     199     200     199     200     201     202     203     204     205     207
     208     209     200     201     202     207     201     202     203     204
     205     206     207     208     209     210     211     202     203     204
     205     207     208     209     203     204     205     206     207     208
     209     204     205     206     207     205     206     207     206     207
       0     208     209     210     211     212     213     218     209     210
     211     210     211     212     213     214     215     216     218     219
     220     211     212     213     218     212     213     214     215     216
     217     218     219     220     221     222     213     214     215     216
     218     219     220     214     215     216     217     218     219     220
     215     216     217     218     216     217     218     217     218       0
     219     220     221     222     223     224     225     220     221     222
     221     222     223     224     225     226     227     222     223     224
     225     223     224     225     226     227     228     229     224     225
     226     227     225     226     227     226     227     228     229     230
     231     249     227     228     229     228     229     230     231     232
     233     234     249     250     251     229     230     231     249     230
     231     232     233     234     235     236     237     249     250     251
     252     261     231     232     233     234     249     250     251     232
     233     234     235     236     237     238     239     240     249     250
     251     233     234     235     236     237     249     234     235     236
     237     249     235     236     237     238     239     240     241     242
     249     236     237     238     239     240     237     238     239     240
     238     239     240     241     242     243     246     239     240     241
     242     240     241     242     241     242     243     244     245     246
     247     248     242     243     246     243     244     245     246     247
     248     244     245     246     247     248     245     246     246     247
     248     248       0     250     251     252     253     254     255     258
     261     262     263     251     252     261     252     253     254     255
     256     257     258     259     260     261     262     263     264     265
     253     254     255     256     257     258     259     260     261     262
     263     254     255     256     257     258     261     255     256     257
     258     261     256     257     258     259     260     261     262     263
     257     258     259     260     261     258     259     260     261     259
     260     261     262     263     264     265     260     261     262     263
     261     262     263     262     263     264     265     266     275     263
     264     265     264     265     266     267     268     269     272     275
     276     277     265     266     275     266     267     268     269     270
     271     272     273     274     275     276     277     278     279     267
     268     269     270     271     272     273     274     275     276     277
     268     269     270     271     272     275     269     270     271     272
     275     270     271     272     273     274     275     276     277     271
     272     273     274     275     272     273     274     275     273     274
     275     276     277     278     279     274     275     276     277     275
     276     277     276     277     278     279     280     289     277     278
     279     278     279     280     281     282     283     286     289     290
     291     279     280     289     280     281     282     283     284     285
     286     287     288     289     290     291     292     293     281     282
     283     284     285     286     287     288     289     290     291     282
     283     284     285     286     289     283     284     285     286     289
     284     285     286     287     288     289     290     291     285     286
     287     288     289     286     287     288     289     287     288     289
     290     291     292     293     288     289     290     291     289     290
     291     290     291     292     293     294     295     291     292     293
     292     293     294     295     296     297     302     293     294     295
     294     295     296     297     298     299     300     302     303     304
     295     296     297     302     296     297     298     299     300     301
     302     303     304     297     298     299     300     302     303     304
     298     299     300     301     302     303     304     299     300     301
     302     300     301     302     301     302       0     303     304     304
       0
%FLAG HBOND_ACOEF
%FORMAT(5E16.8)

%FLAG HBOND_BCOEF
%FORMAT(5E16.8)

%FLAG HBCUT
%FORMAT(5E16.8)

%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
N3  H   H   H   CT  HP  CT  HC  HC  C   O   N   H   H   C   O   N   H   CT  H1  
CT  HC  HC  CT  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  
HC  HC  CA  CA  HA  CA  HA  C   OH  HO  CA  HA  CA  HA  C   O   N   H   CT  H1  
CT  HC  CT  HC  HC  HC  CT  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  
HC  HC  CT  HC  HC  C   O   N   H   H   C   O   N   H   CT  H1  CT  HC  HC  C*  
CW  H4  NA  H   CN  CA  HA  CA  HA  CA  HA  CA  HA  CB  C   O   N   H   CT  H1  
CT  HC  HC  CT  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  
HC  HC  CT  HC  HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   O   N   H   CT  
H1  CT  HC  HC  C   O2  O2  C   O   N   H   CT  H1  H1  C   O   N   H   CT  H1  
H1  C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  HC  CT  H1  C   O   N   H   CT  
H1  CT  H1  H1  OH  HO  C   O   N   H   CT  H1  CT  H1  H1  OH  HO  C   O   N   
H   CT  H1  H1  C   O   N   H   CT  H1  CT  HC  HC  CT  HC  HC  CT  H1  H1  N2  
H   CA  N2  H   H   N2  H   H   C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  HC  
CT  H1  C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  HC  CT  H1  C   O   N   CT  
H1  H1  CT  HC  HC  CT  HC  HC  CT  H1  C   O   N   H   CT  H1  CT  H1  H1  OH  
HO  C   O2  O2  
%FLAG TREE_CHAIN_CLASSIFICATION
%FORMAT(20a4)
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M   E   M   E   
3   E   E   3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   
E   E   B   B   E   B   E   B   S   E   S   E   S   E   M   E   M   E   M   E   
3   E   3   E   E   E   3   E   E   3   E   E   E   M   E   M   E   M   E   3   
E   E   3   E   E   B   E   B   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   E   3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   
E   E   3   E   E   3   E   E   3   E   E   3   E   E   E   M   E   M   E   M   
E   3   E   E   B   E   E   M   E   M   E   M   E   E   M   E   M   E   M   E   
E   M   E   M   3   E   E   3   E   E   B   E   E   M   E   M   E   M   E   M   
E   3   E   E   S   E   M   E   M   E   M   E   3   E   E   S   E   M   E   M   
E   M   E   E   M   E   M   E   M   E   3   E   E   3   E   E   3   E   E   B   
E   B   B   E   E   B   E   E   M   E   M   3   E   E   3   E   E   B   E   E   
M   E   M   E   M   3   E   E   3   E   E   B   E   E   M   E   M   E   M   3   
E   E   3   E   E   B   E   E   M   E   M   E   BLA BLA BLA BLA BLA BLA 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       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0
%FLAG IROTAT
%FORMAT(10I8)
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0
%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  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00  8.00000000E-01
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.70000000E+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
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+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
  1.50000000E+00  1.50000000E+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
  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.50000000E+00
  8.00000000E-01  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+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  1.30000000E+00  1.70000000E+00
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