%VERSION  VERSION_STAMP = V0001.000  DATE = 04/29/20  09:54:18                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
UNK                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     153      11      84      69     190      89     352     176       0       0
     839       1      69      89     176      22      47      36      16       0
       0       0       0       0       0       0       0       0     153       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  H11 H12 H13 C2  H21 H22 C44 H441H442C3  H31 H32 C4  H41 H42 C43 H431H432C41 
H23 C42 H25 C40 H401H402C5  H51 H52 C6  H61 H62 C7  O1  N12 H33 C32 H19 C33 O9  
N14 H37 C36 C38 H38 C39 H391H392H393C37 O11 N2  HN2 C14 C16 C17 H171N3  HN31HN32
HN33H172H161H162H14 C15 O3  N1  HN1 C8  C10 C11 C12 H121H122H123C13 H131H132H133
H15 H101H102H8  C9  O2  N4  HN4 C18 C20 C21 C22 N5  HN5 C23 N6  HN61HN62N7  H71 
H72 H221H222H211H212H201H202H18 C19 O4  N8  HN8 C24 C26 O6  HO6 C27 H271H272N9  
H91 H92 H93 H26 H24 C25 O5  N10 H29 C28 C30 O8  HO8 C31 H311H312N11 HN11HN12HN13
H30 H28 C29 O7  N13 H36 C35 H351H352C34 H34 O10 HO1 
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -1.78760763E+00  8.20604836E-01  8.20604836E-01  8.20604836E-01 -1.39218372E+00
  2.49645510E-01  2.49645510E-01 -1.68374052E+00  1.14253821E+00  1.14253821E+00
 -1.39218372E+00  3.31645860E-01  3.31645860E-01 -1.44685062E+00  1.10609361E+00
  1.10609361E+00 -1.13342706E+00  1.05142671E+00  1.05142671E+00 -2.33609886E+00
  2.47823280E+00 -3.97610586E+00  2.16845370E+00 -8.41870260E-01  1.12431591E+00
  1.12431591E+00 -1.31929452E+00  9.23870610E-01  9.23870610E-01 -2.79530082E+00
  1.47053961E+00  1.47053961E+00  1.28667660E+01 -1.38325479E+01 -9.65599677E+00
  6.31402695E+00  2.13200910E-01  1.47053961E+00  1.16458719E+01 -1.01880879E+01
 -9.09474993E+00  6.22291545E+00 -1.85138568E+00 -8.05425660E-01  3.09779100E+00
 -1.72929627E+00  1.29438464E+00  1.29438464E+00  1.29438464E+00  1.24512976E+01
 -1.10263137E+01 -1.04760003E+01  5.98602555E+00  7.05203010E-01 -1.97529732E+00
  1.83680784E+00  2.28143196E+00 -1.52812208E+01  8.57299081E+00  8.57299081E+00
  8.57299081E+00  2.28143196E+00  1.52520651E+00  1.52520651E+00  1.87143021E+00
  1.22289855E+01 -1.22654301E+01 -9.78355287E+00  6.42336075E+00  1.05142671E+00
 -1.44685062E+00 -1.12431591E+00 -1.79671878E+00  8.44913384E-01  8.44913384E-01
  8.44913384E-01 -1.79671878E+00  8.44913384E-01  8.44913384E-01  8.44913384E-01
  7.96314510E-01  1.01498211E+00  1.01498211E+00  1.61631801E+00  1.17552057E+01
 -1.19920956E+01 -1.02755550E+01  6.11358165E+00  7.41647610E-01 -1.55618442E+00
 -1.84774122E+00  4.42801890E-01 -7.56407673E+00  5.84389161E+00  9.57217419E+00
 -8.98723836E+00  6.07167036E+00  6.07167036E+00 -8.98723836E+00  6.07167036E+00
  6.07167036E+00  1.32476121E+00  1.32476121E+00  1.54342881E+00  1.54342881E+00
  1.27920546E+00  1.27920546E+00  1.85320791E+00  1.17005388E+01 -1.04978670E+01
 -1.02208881E+01  5.87669175E+00 -5.46669000E-03  2.42538813E+00 -1.08204017E+01
  8.16359040E+00  1.14436044E+00  2.18120931E+00  2.18120931E+00 -1.51718870E+01
  8.61550344E+00  8.61550344E+00  8.61550344E+00  2.23587621E+00  2.27232081E+00
  1.17552057E+01 -1.13543151E+01 -9.92933127E+00  6.44158305E+00 -5.46669000E-03
  1.86049683E+00 -1.11119585E+01  8.16359040E+00  1.65458484E+00  1.90787481E+00
  1.90787481E+00 -1.52629985E+01  8.70661494E+00  8.70661494E+00  8.70661494E+00
  2.45454381E+00  2.23587621E+00  1.15729827E+01 -1.13907597E+01 -9.38266227E+00
  6.18647085E+00  1.22089410E+00  1.78942986E+00  1.78942986E+00  1.84227453E+00
  1.76209641E+00 -1.11301808E+01  8.07247890E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       6       1       1       1       6       1       1       6       1       1
       6       1       1       6       1       1       6       1       1       6
       1       6       1       6       1       1       6       1       1       6
       1       1       6       8       7       1       6       1       6       8
       7       1       6       6       1       6       1       1       1       6
       8       7       1       6       6       6       1       7       1       1
       1       1       1       1       1       6       8       7       1       6
       6       6       6       1       1       1       6       1       1       1
       1       1       1       1       6       8       7       1       6       6
       6       6       7       1       6       7       1       1       7       1
       1       1       1       1       1       1       1       1       6       8
       7       1       6       6       8       1       6       1       1       7
       1       1       1       1       1       6       8       7       1       6
       6       8       1       6       1       1       7       1       1       1
       1       1       6       8       7       1       6       1       1       6
       1       8       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01
  1.20100000E+01  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01
  1.20100000E+01  1.20100000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.40100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.60000000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.40100000E+01
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.60000000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.60000000E+01  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       2       2       1       2       2       1       2       2
       1       2       2       1       2       2       1       2       2       3
       4       3       4       1       2       2       1       2       2       1
       2       2       3       5       6       7       1       8       3       5
       6       7       3       3       4       1       2       2       2       3
       5       6       7       1       1       1       9       6       7       7
       7       9       2       2       8       3       5       6       7       1
       1       1       1       2       2       2       1       2       2       2
       2       2       2       8       3       5       6       7       1       1
       1       1       6       7       3       6       7       7       6       7
       7       8       8       2       2       2       2       8       3       5
       6       7       1       1      10      11       1       9       9       6
       7       7       7       8       8       3       5       6       7       1
       1      10      11       1       9       9       6       7       7       7
       8       8       3       5       6       7       1       8       8       1
       8      10      11
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
      10       6       5       4       9       5       4       9       5       4
       9       5       4       8       5       4       7       4       3       7
       3       8       4       9       5       4       8       5       4       7
       4       3       7       3      10       4      14       7      10       4
       9       3      11       8       5       4       2       1       1       7
       3      10       4      13      13      10       7       6       3       2
       1       2       3       2       3       7       3      10       4      13
      16      13      10       4       3       2       6       3       2       1
       2       3       2       3       7       3      10       4      13      13
      12      11      12       5       8       5       2       1       2       1
       1       3       2       3       2       3       2       3       7       3
      10       4      14      14       8       2       9       6       5       4
       2       1       1       2       3       7       3      10       4      14
      14       8       2       9       6       5       4       2       1       1
       2       3       7       3       7       4       6       4       3       3
       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37      46
      56       2       3       5       8      12      17      23      30      38
      47      57       4       5       6       9      13      18      24      31
      39      48      58       7       8       9      10      14      19      25
      32      40      49      59      11      12      13      14      15      20
      26      33      41      50      60      16      17      18      19      20
      21      27      34      42      51      61      22      23      24      25
      26      27      28      35      43      52      62      29      30      31
      32      33      34      35      36      44      53      63      37      38
      39      40      41      42      43      44      45      54      64      46
      47      48      49      50      51      52      53      54      55      65
      56      57      58      59      60      61      62      63      64      65
      66
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
UNK 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.30600000E+02  3.00900000E+02  3.26800000E+02  3.43100000E+02  5.69400000E+02
  3.13000000E+02  6.37700000E+02  4.27600000E+02  4.03200000E+02  3.28700000E+02
  3.30600000E+02  3.69700000E+02  5.47300000E+02  3.54500000E+02  3.38700000E+02
  2.83300000E+02  3.73200000E+02  3.26600000E+02  4.04600000E+02  4.88000000E+02
  3.16700000E+02  3.71400000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.09690000E+00  1.53750000E+00  1.50950000E+00  1.08790000E+00  1.33430000E+00
  1.52410000E+00  1.21830000E+00  1.37890000E+00  1.01290000E+00  1.46190000E+00
  1.09690000E+00  1.42420000E+00  1.34610000E+00  1.48250000E+00  1.09100000E+00
  1.51100000E+00  1.03040000E+00  1.46400000E+00  1.01210000E+00  1.33900000E+00
  1.42330000E+00  9.73000000E-01
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  4.63000000E+01  6.29000000E+01  3.94000000E+01  6.34000000E+01  4.59000000E+01
  6.41000000E+01  4.70000000E+01  4.99000000E+01  6.33000000E+01  6.74000000E+01
  6.68000000E+01  4.69000000E+01  4.83000000E+01  6.34000000E+01  7.42000000E+01
  4.98000000E+01  6.70000000E+01  6.59000000E+01  4.58000000E+01  4.64000000E+01
  6.75000000E+01  4.70000000E+01  6.16000000E+01  6.87100000E+01  6.60000000E+01
  4.77000000E+01  4.95000000E+01  6.40000000E+01  6.88000000E+01  6.79000000E+01
  6.55000000E+01  4.62000000E+01  6.42000000E+01  4.59000000E+01  4.86000000E+01
  3.92000000E+01  4.06000000E+01  6.62000000E+01  4.61000000E+01  6.29000000E+01
  4.96000000E+01  7.30000000E+01  4.88000000E+01  4.01000000E+01  3.92000000E+01
  4.74000000E+01  5.09000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.91637234E+00  1.94621748E+00  1.87762601E+00  1.94709015E+00  2.01899774E+00
  2.15775148E+00  1.92614619E+00  2.10190092E+00  1.93801443E+00  2.15024656E+00
  2.01027109E+00  1.89839544E+00  2.05163542E+00  2.10643878E+00  2.14762857E+00
  1.90031530E+00  1.90345690E+00  1.94796281E+00  2.05390434E+00  1.91218355E+00
  1.92317913E+00  1.88879613E+00  2.29301455E+00  2.15844961E+00  2.06734339E+00
  1.98670914E+00  2.10224999E+00  2.14937390E+00  2.15024656E+00  2.01096923E+00
  2.10172639E+00  1.92963685E+00  1.99334139E+00  1.92178286E+00  1.88513093E+00
  1.91549968E+00  1.89019239E+00  1.92789152E+00  2.02440827E+00  2.18969102E+00
  1.91619781E+00  2.09683946E+00  2.11446730E+00  2.00922390E+00  1.89298492E+00
  1.87204096E+00  1.92440086E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  1.60000000E-01  2.00000000E-01  2.50000000E-01  1.80000000E-01  1.50000000E-01
  1.55555556E-01  0.00000000E+00  6.65000000E+00  1.90000000E+00  1.15000000E+00
  3.80000000E-01  0.00000000E+00  7.00000000E-02  1.00000000E-01  2.50000000E+00
  1.50000000E+00  8.00000000E-01  8.00000000E-02  8.50000000E-01  5.30000000E-01
  1.50000000E-01  5.00000000E-01  2.00000000E+00  1.70000000E+00  2.00000000E+00
  2.50000000E-01  0.00000000E+00  1.20000000E+00  6.50000000E-01  2.17500000E+00
  6.75000000E-01  1.30000000E+00  1.44000000E-01  1.66666667E-01  1.10000000E+00
  1.05000000E+01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
  3.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00  1.00000000E+00
  3.00000000E+00  2.00000000E+00  2.00000000E+00  4.00000000E+00  2.00000000E+00
  1.00000000E+00  1.00000000E+00  3.00000000E+00  2.00000000E+00  1.00000000E+00
  3.00000000E+00  4.00000000E+00  1.00000000E+00  1.00000000E+00  2.00000000E+00
  1.00000000E+00  3.00000000E+00  1.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00
  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+00  3.14159400E+00  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  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  0.00000000E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.04308023E+06  9.71708117E+04  7.51607703E+03  9.24822270E+05  8.61541883E+04
  8.19971662E+05  8.59947003E+04  6.55825601E+03  7.62451550E+04  5.71629601E+03
  6.47841731E+05  5.44261042E+04  5.74393458E+05  4.77908183E+04  3.79876399E+05
  9.95480466E+05  8.96776989E+04  8.82619071E+05  7.91627154E+04  6.06829342E+05
  9.44293233E+05  2.56678134E+03  1.07193646E+02  2.27577561E+03  8.90987508E+01
  1.02595236E+03  2.12601181E+03  1.39982777E-01  6.78771368E+04  4.98586848E+03
  6.01816484E+04  4.33325458E+03  3.69471530E+04  6.20665997E+04  5.94667300E+01
  3.25969625E+03  2.27401052E+04  1.41077189E+03  2.01619733E+04  1.21014911E+03
  1.12780457E+04  2.01791425E+04  9.14716912E+00  8.79040886E+02  2.01823541E+02
  7.91544157E+05  6.82786631E+04  7.01803794E+05  6.00750218E+04  4.71003287E+05
  7.44975864E+05  1.40467023E+03  4.66922514E+04  1.45985502E+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
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.75612247E+02  1.26919150E+02  2.17257828E+01  5.99015525E+02  1.12529845E+02
  5.31102864E+02  1.18043746E+02  2.00642027E+01  1.04660679E+02  1.85196588E+01
  6.26720080E+02  1.11805549E+02  5.55666448E+02  1.03580945E+02  5.64885984E+02
  7.36907417E+02  1.36131731E+02  6.53361429E+02  1.26451907E+02  6.77220874E+02
  8.01323529E+02  2.06278363E+01  2.59456373E+00  1.82891803E+01  2.33864085E+00
  1.53505284E+01  2.09604198E+01  9.37598976E-02  1.06076943E+02  1.76949863E+01
  9.40505980E+01  1.63092814E+01  9.21192136E+01  1.13252061E+02  1.93248820E+00
  1.43076527E+01  6.13981767E+01  9.41257003E+00  5.44372326E+01  8.61880722E+00
  5.08951803E+01  6.45756063E+01  7.57919667E-01  7.42992380E+00  3.56012899E+00
  6.93079947E+02  1.25287818E+02  6.14502845E+02  1.16187983E+02  6.29300710E+02
  7.50714425E+02  1.79702257E+01  1.03606917E+02  5.79323581E+01  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
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       3       1       0       6       1       0       9       1      12
      15       1      12      18       1      21      24       1      21      27
       1      30      33       1      30      36       1      39      42       1
      39      45       1      48      51       1      48      54       1      57
      60       4      63      66       4      69      72       1      69      75
       1      78      81       1      78      84       1      87      90       1
      87      93       1     102     105       9     108     111      11     120
     123       9     129     132       4     135     138       1     135     141
       1     135     144       1     153     156       9     159     192      11
     162     186       1     162     189       1     165     168      15     165
     183      15     171     174      17     171     177      17     171     180
      17     201     204       9     207     249      11     210     243       1
     210     246       1     213     240       1     216     219       1     216
     222       1     216     225       1     228     231       1     228     234
       1     228     237       1     258     261       9     264     321      11
     267     315       1     267     318       1     270     309       1     270
     312       1     273     303      11     273     306      11     276     279
      19     285     288      19     285     291      19     294     297      19
     294     300      19     330     333       9     336     372      11     339
     369      11     342     345      22     348     351      15     348     354
      15     357     360      17     357     363      17     357     366      17
     381     384       9     387     423      11     390     420      11     393
     396      22     399     402      15     399     405      15     408     411
      17     408     414      17     408     417      17     432     435       9
     438     441      11     438     444      11     447     450      11     453
     456      22
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0      12       2      12      21       2      21      30       2      30
      39       2      39      48       2      48      57       3      57      63
       5      63      69       3      69      78       2      78      87       2
      87      96       6      96      99       7      96     102       8     102
     108      10     108     114       6     108     447       2     114     117
       7     114     120       8     120     126      12     126     129      13
     126     147      14     129     135       3     147     150       7     147
     153       8     153     159      10     159     162       2     159     195
       6     162     165       2     165     171      16     195     198       7
     195     201       8     201     207      10     207     210       2     207
     252       6     210     213       2     213     216       2     213     228
       2     252     255       7     252     258       8     258     264      10
     264     267       2     264     324       6     267     270       2     270
     273       2     273     276      18     276     282      20     282     285
      20     282     294      20     324     327       7     324     330       8
     330     336      10     336     339       2     336     375       6     339
     342      21     339     348       2     348     357      16     375     378
       7     375     381       8     381     387      10     387     390       2
     387     426       6     390     393      21     390     399       2     399
     408      16     426     429       7     426     432       8     432     438
      10     438     447       2     447     453      21
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       0      12      15       1       0      12      18       1       3       0
       6       3       3       0       9       3       3       0      12       1
       6       0       9       3       6       0      12       1       9       0
      12       1      12      21      24       1      12      21      27       1
      15      12      18       3      15      12      21       1      18      12
      21       1      21      30      33       1      21      30      36       1
      24      21      27       3      24      21      30       1      27      21
      30       1      30      39      42       1      30      39      45       1
      33      30      36       3      33      30      39       1      36      30
      39       1      39      48      51       1      39      48      54       1
      42      39      45       3      42      39      48       1      45      39
      48       1      48      57      60       5      51      48      54       3
      51      48      57       7      54      48      57       7      57      63
      66       8      60      57      63       8      63      69      72       7
      63      69      75       7      66      63      69       5      69      78
      81       1      69      78      84       1      72      69      75       3
      72      69      78       1      75      69      78       1      78      87
      90       1      78      87      93       1      81      78      84       3
      81      78      87       1      84      78      87       1      90      87
      93       3      90      87      96      12      93      87      96      12
      96     102     105      13     102     108     111      16     105     102
     108      19     108     447     450      20     111     108     114      22
     111     108     447      20     114     120     123      13     123     120
     126      26     126     129     132      27     129     135     138       7
     129     135     141       7     129     135     144       7     132     129
     135       5     138     135     141       3     138     135     144       3
     141     135     144       3     147     153     156      13     153     159
     192      16     156     153     159      19     159     162     186       1
     159     162     189       1     162     159     192      20     162     165
     168      32     162     165     183      32     165     162     186       1
     165     162     189       1     165     171     174      34     165     171
     177      34     165     171     180      34     168     165     171      35
     168     165     183      36     171     165     183      35     174     171
     177      37     174     171     180      37     177     171     180      37
     186     162     189       3     192     159     195      22     195     201
     204      13     201     207     249      16     204     201     207      19
     207     210     243       1     207     210     246       1     210     207
     249      20     210     213     240       1     213     210     243       1
     213     210     246       1     213     216     219       1     213     216
     222       1     213     216     225       1     213     228     231       1
     213     228     234       1     213     228     237       1     216     213
     240       1     219     216     222       3     219     216     225       3
     222     216     225       3     228     213     240       1     231     228
     234       3     231     228     237       3     234     228     237       3
     243     210     246       3     249     207     252      22     252     258
     261      13     258     264     321      16     261     258     264      19
     264     267     315       1     264     267     318       1     267     264
     321      20     267     270     309       1     267     270     312       1
     270     267     315       1     270     267     318       1     270     273
     303      20     270     273     306      20     273     270     309       1
     273     270     312       1     273     276     279      39     276     273
     303      41     276     273     306      41     279     276     282      43
     282     285     288      43     282     285     291      43     282     294
     297      43     282     294     300      43     288     285     291      44
     297     294     300      44     303     273     306      45     309     270
     312       3     315     267     318       3     321     264     324      22
     324     330     333      13     330     336     372      16     333     330
     336      19     336     339     369      20     339     336     372      20
     339     342     345      46     339     348     351      32     339     348
     354      32     342     339     369      47     348     339     369      20
     348     357     360      34     348     357     363      34     348     357
     366      34     351     348     354      36     351     348     357      35
     354     348     357      35     360     357     363      37     360     357
     366      37     363     357     366      37     372     336     375      22
     375     381     384      13     381     387     423      16     384     381
     387      19     387     390     420      20     390     387     423      20
     390     393     396      46     390     399     402      32     390     399
     405      32     393     390     420      47     399     390     420      20
     399     408     411      34     399     408     414      34     399     408
     417      34     402     399     405      36     402     399     408      35
     405     399     408      35     411     408     414      37     411     408
     417      37     414     408     417      37     423     387     426      22
     426     432     435      13     432     438     441      16     432     438
     444      16     435     432     438      19     438     447     450      20
     441     438     444      45     441     438     447      20     444     438
     447      20     447     453     456      46     450     447     453      47
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
       0      12      21       2      12      21      30       2      21      30
      39       2      30      39      48       2      39      48      57       4
      48      57      63       6      57      63      69       6      63      69
      78       4      69      78      87       2      78      87      96       9
      87      96      99      10      87      96     102      11      96     102
     108      14      99      96     102      15     102     108     114      17
     102     108     447      18     108     114     117      10     108     114
     120      11     108     447     438       2     108     447     453      21
     114     108     447       9     114     120     126      23     117     114
     120      15     120     126     129      24     120     126     147      25
     126     129     135      28     126     147     150      29     126     147
     153      30     129     126     147      31     147     153     159      14
     150     147     153      15     153     159     162      18     153     159
     195      17     159     162     165       2     159     195     198      10
     159     195     201      11     162     159     195       9     162     165
     171      33     195     201     207      14     198     195     201      15
     201     207     210      18     201     207     252      17     207     210
     213       2     207     252     255      10     207     252     258      11
     210     207     252       9     210     213     216       2     210     213
     228       2     216     213     228       2     252     258     264      14
     255     252     258      15     258     264     267      18     258     264
     324      17     264     267     270       2     264     324     327      10
     264     324     330      11     267     264     324       9     267     270
     273       2     270     273     276      38     273     276     282      40
     276     282     285      42     276     282     294      42     285     282
     294      42     324     330     336      14     327     324     330      15
     330     336     339      18     330     336     375      17     336     339
     342      21     336     339     348       2     336     375     378      10
     336     375     381      11     339     336     375       9     339     348
     357      33     342     339     348      21     375     381     387      14
     378     375     381      15     381     387     390      18     381     387
     426      17     387     390     393      21     387     390     399       2
     387     426     429      10     387     426     432      11     390     387
     426       9     390     399     408      33     393     390     399      21
     426     432     438      14     429     426     432      15     432     438
     447      18     438     447     453      21
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0      12      21      24       1       0      12      21      27       1
       3       0      12      15       5       3       0      12      18       5
       3       0      12      21       1       6       0      12      15       5
       6       0      12      18       5       6       0      12      21       1
       9       0      12      15       5       9       0      12      18       5
       9       0      12      21       1      12      21      30      33       1
      12      21      30      36       1      15      12      21      24       5
      15      12      21      27       5      15      12      21      30       1
      18      12      21      24       5      18      12      21      27       5
      18      12      21      30       1      21      30      39      42       1
      21      30      39      45       1      24      21      30      33       5
      24      21      30      36       5      24      21      30      39       1
      27      21      30      33       5      27      21      30      36       5
      27      21      30      39       1      30      39      48      51       1
      30      39      48      54       1      33      30      39      42       5
      33      30      39      45       5      33      30      39      48       1
      36      30      39      42       5      36      30      39      45       5
      36      30      39      48       1      39      48      57      60       7
      42      39      48      51       5      42      39      48      54       5
      42      39      48      57       6      45      39      48      51       5
      45      39      48      54       5      45      39      48      57       6
      48      57      63      66       8      51      48      57      60       7
      51      48      57      63      10      51      48     -57      63       7
      51      48     -57      63      11      54      48      57      60       7
      54      48      57      63      10      54      48     -57      63       7
      54      48     -57      63      11      57      63      69      72      10
      57      63     -69      72       7      57      63     -69      72      11
      57      63      69      75      10      57      63     -69      75       7
      57      63     -69      75      11      60      57      63      66       8
      60      57      63      69       8      63      69      78      81       6
      63      69      78      84       6      66      63      69      72       7
      66      63      69      75       7      66      63      69      78       7
      69      78      87      90       1      69      78      87      93       1
      72      69      78      81       5      72      69      78      84       5
      72      69      78      87       1      75      69      78      81       5
      75      69      78      84       5      75      69      78      87       1
      81      78      87      90       5      81      78      87      93       5
      81      78      87      96       6      84      78      87      90       5
      84      78      87      93       5      84      78      87      96       6
      87      96     102     105      15      90      87      96      99      17
      90      87     -96      99       7      90      87     -96      99      18
      90      87      96     102      12      93      87      96      99      17
      93      87     -96      99       7      93      87     -96      99      18
      93      87      96     102      12      96     102     108     111       7
      99      96     102     105      23      99      96    -102     105      15
     102     108     447     450       6     105     102     108     111       7
     105     102     108     114       7     105     102     108     447       7
     108     114     120     123      15     108     447     438     441       6
     108     447     438     444       6     108     447     453     456      26
     108     447    -453     456       1     111     108     114     117      17
     111     108    -114     117       7     111     108    -114     117      18
     111     108     114     120      12     111     108     447     438       6
     111     108     447     450       6     111     108     447     453      26
     111     108    -447     453      27     114     108     447     450       6
     117     114     120     123      23     117     114    -120     123      15
     120     126     129     132       8     123     120     126     129      29
     123     120     126     147      29     126     129     135     138       7
     126     129     135     141       7     126     129     135     144       7
     126     147     153     156      15     132     129     126     147       8
     132     129     135     138       7     132     129     135     141       7
     132     129     135     144       7     147     153     159     192       7
     150     147     153     156      23     150     147    -153     156      15
     153     159     162     186       6     153     159     162     189       6
     156     153     159     162       7     156     153     159     192       7
     156     153     159     195       7     159     162     165     168       6
     159     162     165     183       6     159     195     201     204      15
     162     165     171     174       6     162     165     171     177       6
     162     165     171     180       6     165     162     159     192       6
     168     165     162     186       6     168     165     162     189       6
     168     165     171     174       6     168     165     171     177       6
     168     165     171     180       6     171     165     162     186       6
     171     165     162     189       6     174     171     165     183       6
     177     171     165     183       6     180     171     165     183       6
     183     165     162     186       6     183     165     162     189       6
     186     162     159     192       6     186     162     159     195       6
     189     162     159     192       6     189     162     159     195       6
     192     159     195     198      17     192     159    -195     198       7
     192     159    -195     198      18     192     159     195     201      12
     195     201     207     249       7     198     195     201     204      23
     198     195    -201     204      15     201     207     210     243       6
     201     207     210     246       6     204     201     207     210       7
     204     201     207     249       7     204     201     207     252       7
     207     210     213     240       1     207     252     258     261      15
     210     213     216     219       1     210     213     216     222       1
     210     213     216     225       1     210     213     228     231       1
     210     213     228     234       1     210     213     228     237       1
     213     210     207     249       6     216     213     210     243       1
     216     213     210     246       1     216     213     228     231       1
     216     213     228     234       1     216     213     228     237       1
     219     216     213     228       1     219     216     213     240       5
     222     216     213     228       1     222     216     213     240       5
     225     216     213     228       1     225     216     213     240       5
     228     213     210     243       1     228     213     210     246       1
     231     228     213     240       5     234     228     213     240       5
     237     228     213     240       5     240     213     210     243       5
     240     213     210     246       5     243     210     207     249       6
     243     210     207     252       6     246     210     207     249       6
     246     210     207     252       6     249     207     252     255      17
     249     207    -252     255       7     249     207    -252     255      18
     249     207     252     258      12     252     258     264     321       7
     255     252     258     261      23     255     252    -258     261      15
     258     264     267     315       6     258     264     267     318       6
     261     258     264     267       7     261     258     264     321       7
     261     258     264     324       7     264     267     270     309       1
     264     267     270     312       1     264     324     330     333      15
     267     270     273     303       6     267     270     273     306       6
     270     267     264     321       6     270     273     276     279       7
     273     270     267     315       1     273     270     267     318       1
     276     273     270     309       6     276     273     270     312       6
     276     282     285     288      31     276     282     285     291      31
     276     282     294     297      31     276     282     294     300      31
     279     276     273     303       7     279     276     273     306       7
     279     276     282     285      31     279     276     282     294      31
     282     276     273     303       7     282     276     273     306       7
     285     282     294     297      31     285     282     294     300      31
     288     285     282     294      31     291     285     282     294      31
     303     273     270     309       6     303     273     270     312       6
     306     273     270     309       6     306     273     270     312       6
     309     270     267     315       5     309     270     267     318       5
     312     270     267     315       5     312     270     267     318       5
     315     267     264     321       6     315     267     264     324       6
     318     267     264     321       6     318     267     264     324       6
     321     264     324     327      17     321     264    -324     327       7
     321     264    -324     327      18     321     264     324     330      12
     324     330     336     372       7     327     324     330     333      23
     327     324    -330     333      15     330     336     339     369       6
     333     330     336     339       7     333     330     336     372       7
     333     330     336     375       7     336     339     342     345      26
     336     339    -342     345       1     336     339     348     351       6
     336     339     348     354       6     336     375     381     384      15
     339     348     357     360       6     339     348     357     363       6
     339     348     357     366       6     342     339     336     372      26
     342     339    -336     372      27     342     339     348     351       6
     342     339     348     354       6     345     342     339     348      26
     345     342    -339     348       1     345     342     339     369      34
     348     339     336     372       6     351     348     339     369       6
     351     348     357     360       6     351     348     357     363       6
     351     348     357     366       6     354     348     339     369       6
     354     348     357     360       6     354     348     357     363       6
     354     348     357     366       6     357     348     339     369       6
     369     339     336     372       6     369     339     336     375       6
     372     336     375     378      17     372     336    -375     378       7
     372     336    -375     378      18     372     336     375     381      12
     375     381     387     423       7     378     375     381     384      23
     378     375    -381     384      15     381     387     390     420       6
     384     381     387     390       7     384     381     387     423       7
     384     381     387     426       7     387     390     393     396      26
     387     390    -393     396       1     387     390     399     402       6
     387     390     399     405       6     387     426     432     435      15
     390     399     408     411       6     390     399     408     414       6
     390     399     408     417       6     393     390     387     423      26
     393     390    -387     423      27     393     390     399     402       6
     393     390     399     405       6     396     393     390     399      26
     396     393    -390     399       1     396     393     390     420      34
     399     390     387     423       6     402     399     390     420       6
     402     399     408     411       6     402     399     408     414       6
     402     399     408     417       6     405     399     390     420       6
     405     399     408     411       6     405     399     408     414       6
     405     399     408     417       6     408     399     390     420       6
     420     390     387     423       6     420     390     387     426       6
     423     387     426     429      17     423     387    -426     429       7
     423     387    -426     429      18     423     387     426     432      12
     426     432     438     441       7     426     432     438     444       7
     429     426     432     435      23     429     426    -432     435      15
     432     438     447     450       6     435     432     438     441       7
     435     432     438     444       7     435     432     438     447       7
     438     447     453     456      26     438     447    -453     456       1
     441     438     447     450       6     441     438     447     453      26
     441     438    -447     453      27     444     438     447     450       6
     444     438     447     453      26     444     438    -447     453      27
     450     447     453     456      34      63      48     -57     -60      35
      57      69     -63     -66      35      96     108    -102    -105      35
     114     126    -120    -123      35     135     126    -129    -132      35
     147     159    -153    -156      35     195     207    -201    -204      35
     252     264    -258    -261      35     324     336    -330    -333      35
     375     387    -381    -384      35     426     438    -432    -435      35
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
       0      12      21      30       2       0      12     -21      30       3
       0      12     -21      30       4      12      21      30      39       2
      12      21     -30      39       3      12      21     -30      39       4
      21      30      39      48       2      21      30     -39      48       3
      21      30     -39      48       4      30      39      48      57       6
      39      48      57      63       7      48      57      63      69       9
      48      57     -63      69       8      57      63      69      78       7
      63      69      78      87       6      69      78      87      96       6
      78      87      96      99      12      78      87      96     102      13
      78      87     -96     102      14      87      96     102     108      16
      87      96    -102     108       7      96     102     108     114      17
      96     102    -108     114      19      96     102     108     447      20
      96     102    -108     447       7      96     102    -108     447      21
      96     102    -108     447      22      99      96     102     108      15
     102     108     114     117      12     102     108     114     120      24
     102     108    -114     120      25     102     108     447     438       6
     102     108     447     453       6     108     114     120     126      15
     108     447     438     432       6     114     108     447     438       6
     114     108     447     453       6     114     120     126     129      28
     114     120    -126     129      29     114     120     126     147      29
     117     114     108     447      12     117     114     120     126      15
     120     114     108     447      13     120     114    -108     447      14
     120     126     129     135       8     120     126     147     150      30
     120     126     147     153      30     126     147     153     159      15
     129     126     147     150      30     129     126     147     153      30
     135     129     126     147       8     147     153     159     162      20
     147     153    -159     162       7     147     153    -159     162      21
     147     153    -159     162      22     147     153     159     195      17
     147     153    -159     195      19     150     147     153     159      15
     153     159     162     165       6     153     159     195     198      12
     153     159     195     201      24     153     159    -195     201      25
     159     162     165     171       6     159     195     201     207      16
     159     195    -201     207       7     162     159     195     198      12
     162     159     195     201      13     162     159    -195     201      14
     165     162     159     195       6     195     201     207     210      20
     195     201    -207     210       7     195     201    -207     210      21
     195     201    -207     210      22     195     201     207     252      17
     195     201    -207     252      19     198     195     201     207      15
     201     207     210     213       6     201     207     252     255      12
     201     207     252     258      24     201     207    -252     258      25
     207     210     213     216       2     207     210    -213     216       3
     207     210    -213     216       4     207     210     213     228       2
     207     210    -213     228       3     207     210    -213     228       4
     207     252     258     264      16     207     252    -258     264       7
     210     207     252     255      12     210     207     252     258      13
     210     207    -252     258      14     213     210     207     252       6
     252     258     264     267      20     252     258    -264     267       7
     252     258    -264     267      21     252     258    -264     267      22
     252     258     264     324      17     252     258    -264     324      19
     255     252     258     264      15     258     264     267     270       6
     258     264     324     327      12     258     264     324     330      24
     258     264    -324     330      25     264     267     270     273       2
     264     267    -270     273       3     264     267    -270     273       4
     264     324     330     336      16     264     324    -330     336       7
     267     264     324     327      12     267     264     324     330      13
     267     264    -324     330      14     267     270     273     276       6
     270     267     264     324       6     270     273     276     282       7
     273     276     282     285      31     273     276     282     294      31
     324     330     336     339      20     324     330    -336     339       7
     324     330    -336     339      21     324     330    -336     339      22
     324     330     336     375      17     324     330    -336     375      19
     327     324     330     336      15     330     336     339     342       6
     330     336     339     348       6     330     336     375     378      12
     330     336     375     381      24     330     336    -375     381      25
     336     339     348     357       6     336     375     381     387      16
     336     375    -381     387       7     339     336     375     378      12
     339     336     375     381      13     339     336    -375     381      14
     342     339     336     375       6     342     339     348     357      32
     342     339    -348     357      33     348     339     336     375       6
     375     381     387     390      20     375     381    -387     390       7
     375     381    -387     390      21     375     381    -387     390      22
     375     381     387     426      17     375     381    -387     426      19
     378     375     381     387      15     381     387     390     393       6
     381     387     390     399       6     381     387     426     429      12
     381     387     426     432      24     381     387    -426     432      25
     387     390     399     408       6     387     426     432     438      16
     387     426    -432     438       7     390     387     426     429      12
     390     387     426     432      13     390     387    -426     432      14
     393     390     387     426       6     393     390     399     408      32
     393     390    -399     408      33     399     390     387     426       6
     426     432     438     447      20     426     432    -438     447       7
     426     432    -438     447      21     426     432    -438     447      22
     429     426     432     438      15     432     438     447     453       6
      87     102     -96     -99      36     108     120    -114    -117      36
     147     129    -126    -120      35     126     153    -147    -150      36
     159     201    -195    -198      36     207     258    -252    -255      36
     276     285    -282    -294      35     264     330    -324    -327      36
     336     381    -375    -378      36     387     432    -426    -429      36
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       9      10      11
       3       4       5       6       7       8       4       5       6       7
       8       5       6       7       8       6       7       8       9      10
      11      12      13      14       7       8       9      10      11       8
       9      10      11       9      10      11      12      13      14      15
      16      17      10      11      12      13      14      11      12      13
      14      12      13      14      15      16      17      18      19      20
      13      14      15      16      17      14      15      16      17      15
      16      17      18      19      20      21      22      16      17      18
      19      20      17      18      19      20      18      19      20      21
      22      23      24      19      20      21      22      20      21      22
      21      22      23      24      25      26      27      22      23      24
      23      24      25      26      27      28      29      30      24      25
      26      27      25      26      27      28      29      30      31      32
      33      26      27      28      29      30      27      28      29      30
      28      29      30      31      32      33      34      35      29      30
      31      32      33      30      31      32      33      31      32      33
      34      35      36      37      32      33      34      35      33      34
      35      34      35      36      37      38      39     150      35      36
      37      36      37      38      39      40      41     147     150     151
     152      37      38      39     150      38      39      40      41      42
      43     145     147     148     149     150     151     152     153      39
      40      41     147     150     151     152      40      41      42      43
      44      50     147     150     151     152      41      42      43     150
      42      43      44      45      46      50      51      52     150      43
      44      50      44      45      46      47      48      49      50      51
      52      53      54      45      46      47      48      49      50      51
      52      46      47      48      49      50      47      48      49      50
      48      49      49       0      51      52      53      54      55      65
      66      52      53      54      53      54      55      56      63      64
      65      66      67      68      54      55      65      66      55      56
      57      58      62      63      64      65      66      67      68      69
      70      56      57      58      59      60      61      62      63      64
      65      66      67      68      57      58      59      60      61      62
      63      64      65      66      58      59      60      61      62      63
      64      59      60      61      62      63      64      60      61      62
      61      62      62      63      64      64      65      66      65      66
      66      67      68      67      68      69      70      71      84      85
      68      69      70      69      70      71      72      82      83      84
      85      86      87      70      71      84      85      71      72      73
      77      81      82      83      84      85      86      87      88      89
      72      73      74      75      76      77      78      79      80      81
      82      83      84      85      86      87      73      74      75      76
      77      78      79      80      81      82      83      84      85      74
      75      76      77      78      79      80      81      82      83      75
      76      77      81      76      77      81      77      81      78      79
      80      81      82      83      79      80      81      80      81      81
      82      83      83      84      85      84      85      85      86      87
      86      87      88      89      90     108     109      87      88      89
      88      89      90      91     106     107     108     109     110     111
      89      90     108     109      90      91      92     104     105     106
     107     108     109     110     111     112     113      91      92      93
     102     103     104     105     106     107     108     109     110     111
      92      93      94      95     102     103     104     105     106     107
     108     109      93      94      95      96      99     102     103     104
     105     106     107      94      95      96      97      98      99     100
     101     102     103     104     105      95      96      99     102     103
      96      97      98      99     100     101     102     103      97      98
      99     100     101      98      99      99     100     101     101       0
     103     104     105     104     105     105     106     107     106     107
     107     108     109     108     109     109     110     111     110     111
     112     113     114     125     126     111     112     113     112     113
     114     115     117     124     125     126     127     128     113     114
     125     126     114     115     116     117     118     119     120     124
     125     126     127     128     129     130     115     116     117     118
     119     120     121     122     123     124     125     126     127     128
     116     117     118     119     120     124     125     126     117     124
     118     119     120     121     122     123     124     125     126     119
     120     121     122     123     124     120     121     122     123     124
     121     122     123     124     122     123     123       0     125     126
     126     127     128     127     128     129     130     131     142     143
     128     129     130     129     130     131     132     134     141     142
     143     144     145     130     131     142     143     131     132     133
     134     135     136     137     141     142     143     144     145     146
     147     132     133     134     135     136     137     138     139     140
     141     142     143     144     145     133     134     135     136     137
     141     142     143     134     141     135     136     137     138     139
     140     141     142     143     136     137     138     139     140     141
     137     138     139     140     141     138     139     140     141     139
     140     140       0     142     143     143     144     145     144     145
     146     147     148     149     150     145     146     147     146     147
     148     149     150     151     152     147     148     149     150     148
     149     150     151     152     153     149     150     151     152     150
     151     152     151     152     153     152     153     153       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
c3  hc  hc  hc  c3  hc  hc  c3  hc  hc  c3  hc  hc  c3  hc  hc  c3  hc  hc  c2  
ha  c2  ha  c3  hc  hc  c3  hc  hc  c3  hc  hc  c   o   n   hn  c3  h1  c   o   
n   hn  ce  c2  ha  c3  hc  hc  hc  c   o   n   hn  c3  c3  c3  hx  n4  hn  hn  
hn  hx  hc  hc  h1  c   o   n   hn  c3  c3  c3  c3  hc  hc  hc  c3  hc  hc  hc  
hc  hc  hc  h1  c   o   n   hn  c3  c3  c3  c3  nh  hn  cz  nh  hn  hn  nh  hn  
hn  h1  h1  hc  hc  hc  hc  h1  c   o   n   hn  c3  c3  oh  ho  c3  hx  hx  n4  
hn  hn  hn  h1  h1  c   o   n   hn  c3  c3  oh  ho  c3  hx  hx  n4  hn  hn  hn  
h1  h1  c   o   n   hn  c3  h1  h1  c3  h1  oh  ho  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   E   E   E   M   E   E   M   E   E   M   E   E   M   E   E   M   E   E   M   
E   M   E   M   E   E   M   E   E   M   E   E   M   E   M   E   M   E   B   E   
B   E   B   B   E   3   E   E   E   B   E   B   E   3   3   3   E   3   E   E   
E   E   E   E   E   B   E   B   E   3   3   3   3   E   E   E   3   E   E   E   
E   E   E   E   B   E   B   E   3   3   3   3   B   E   B   B   E   E   B   E   
E   E   E   E   E   E   E   E   B   E   B   E   3   3   S   E   3   E   E   3   
E   E   E   E   E   B   E   B   E   3   3   S   E   3   E   E   3   E   E   E   
E   E   B   E   B   E   B   E   E   M   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0
%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
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  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
  1.70000000E+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  1.30000000E+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  1.50000000E+00  1.55000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00
  1.70000000E+00  1.30000000E+00  1.55000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+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
  1.70000000E+00  1.70000000E+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
  1.30000000E+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  1.70000000E+00
  1.70000000E+00  1.70000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.55000000E+00  1.30000000E+00  1.30000000E+00  1.55000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+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  1.70000000E+00  1.50000000E+00
  8.00000000E-01  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.55000000E+00
  1.30000000E+00  1.30000000E+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
  1.70000000E+00  1.50000000E+00  8.00000000E-01  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.55000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  7.20000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01
  7.20000000E-01  7.20000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  7.90000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  8.50000000E-01  7.90000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0
