* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    219    358     662
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    46.10360   104.36853
    3     1 S   H    _H1_     3     1.02138    66.58954  -101.44602
    4     1 S   H    _H2_     4     1.02093   105.09362     2.78418
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.88247    96.24242  -178.15273
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C24    37     1.51871   104.47066   -39.98635
   38    37 S   HC   _H24    38     1.08939   116.77289   -67.64658
   39    33 S   CT   _C22    50     1.62546   112.78975  -161.57221
   40    37 S   CM   _C25    39     1.33873   126.04538   115.02589
   41    39 S   CT   _C21    51     1.55542   111.59075    55.49867
   42    41 S   HC   _H22    52     1.09901   109.77780    78.23662
   43    41 S   HC   _H23    53     1.09229   111.21616   -36.73056
   44    39 S   CT   _C27   101     1.56681   108.16665   172.18505
   45    44 S   HC   _H26   102     1.07645   107.79020   -61.31956
   46    44 S   HC   _H27   103     1.07635   107.80167   178.77411
   47    44 S   HC   _H28   104     1.07560   107.89354    58.72481
   48    40 S   CO4  _C26    40     1.48425   119.94138    -3.73298
   49    48 S   O    _O33    41     1.23103   119.77824   168.15074
   50    41 S   CT   _C20    54     1.53098   115.56485  -159.70838
   51    50 S   HC   _H20    55     1.09533   106.47004   176.05941
   52    50 S   HC   _H21    56     1.09420   110.27017   -70.45214
   53    40 S   OH   _O34   109     1.37740   121.28547   176.33120
   54    53 S   HO   _H25   110     0.96385   109.91666   180.00000
   55    48 S   CT   _C5_    42     1.51872   118.86314   -16.20947
   56    55 S   HC   _H7_    43     1.09932   105.96047   -81.85854
   57    50 S   CT   _C19    57     1.55842   112.77022    54.75475
   58    33 S   CM   _C6_    44     1.53207   105.39006    78.32128
   59    57 S   CT   _C18    58     1.59352   110.49637   178.02632
   60    59 S   HC   _H3_    59     1.09784   106.07535    52.14803
   61    82 S   CT   _C10    77     1.56355   121.47755   174.30983
   62    57 S   CT   _C28    97     1.56148   106.64597    58.66748
   63    62 S   HC   _H29    98     1.07785   108.03198  -179.96044
   64    62 S   HC   _H30    99     1.07695   108.11456    60.04542
   65    62 S   HC   _H31   100     1.07791   108.07879   -60.01122
   66    55 S   CT   _C4_   105     1.52685   109.60281   161.86339
   67    66 S   HC   _H4_   106     1.08859   109.88004   -65.09124
   68    66 S   HC   _H5_   107     1.08911   109.86933   174.92464
   69    66 S   HC   _H6_   108     1.08924   109.84053    54.96949
   70    58 S   CM   _C7_    45     1.34558   119.32169    90.34508
   71    70 S   HC   _H8_    46     1.08575   121.26751   179.83929
   72    59 S   CT   _C17    60     1.55837   111.64990   -61.12006
   73    72 S   HC   _H18    61     1.09770   109.55351   -51.63794
   74    72 S   HC   _H19    62     1.09683   109.60149    63.18728
   75    61 S   CT   _C33    78     1.55799   103.98175   -89.10767
   76    75 S   HC   _H41    79     1.07829   108.29882   180.00000
   77    75 S   HC   _H42    80     1.07861   108.30819    60.00423
   78    75 S   HC   _H43    81     1.07915   108.25146   -60.05202
   79    70 S   CM   _C8_    47     1.44229   121.99325    -1.40653
   80    79 S   HC   _H9_    48     1.08399   114.68509  -164.17575
   81    72 S   CT   _C16    63     1.54146   115.72701  -174.31039
   82    79 S   CM   _C9_    49     1.35207   123.05487    20.31985
   83    81 S   CT   _C15    64     1.54030   112.15252    48.96776
   84    83 S   HC   _H16    65     1.09717   110.41207  -121.91680
   85    83 S   HC   _H17    66     1.09762   111.32532   122.16934
   86    81 S   CO4  _C30    86     1.51086   106.32196   167.20550
   87    86 S   O    _O35    87     1.22321   124.06991   119.26696
   88    81 S   CT   _C29    93     1.53485   111.42132   -76.56330
   89    88 S   HC   _H32    94     1.08667   109.45977    64.19333
   90    88 S   HC   _H33    95     1.08561   109.49795   -55.82276
   91    88 S   HC   _H34    96     1.08593   109.42212  -175.88406
   92    83 S   CT   _C14    67     1.52944   112.91610     0.43790
   93    92 S   HC   _H14    68     1.09743   109.00696    69.02644
   94    92 S   HC   _H15    69     1.09902   108.60803  -176.42204
   95    86 S   OS   _O36    88     1.36392   109.52098   -60.73869
   96    59 S   CT   _C13    70     1.58208   114.33202   169.96062
   97    95 S   CT   _C31    89     1.43127   115.44469   179.94766
   98    97 S   HC   _H35    90     1.09219   109.52663   180.00000
   99    97 S   HC   _H36    91     1.09353   109.48406    59.23196
  100    97 S   HC   _H37    92     1.09268   109.00089   -60.33785
  101    96 S   CT   _C12    71     1.54686   113.68516    -0.33455
  102   101 S   HC   _H12    72     1.09978   109.80933  -161.91587
  103   101 S   HC   _H13    73     1.09605   109.62859    85.81545
  104    96 S   CT   _C32    82     1.55508   111.61819  -121.15988
  105   104 S   HC   _H38    83     1.07972   108.43392   -55.26629
  106   104 S   HC   _H39    84     1.07932   108.40421  -175.19992
  107   104 S   HC   _H40    85     1.07869   108.41536    64.75665
  108   101 S   CT   _C11    74     1.53511   117.90857   -37.66655
  109   108 S   HC   _H10    75     1.09823   105.20686   147.20776
  110   108 S   HC   _H11    76     1.09884   108.14374  -100.78874
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  23   2   1   1  13   5  21   8  16   7   6   8   3   2   1  11
   5  15   5   4   2   1   9   6  24   9  27  10  20   8   2   1
   1   4   2   1   1   4   3  17   6   5   9   4   3   2   3   1
  15   4  15   7   6  11   3   5   2   1   1  11   4   3   4  10
   3   2   1   1   9   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    55    58    70    82    39    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    48    55    56    58    70    71    79    82    39    41    42    43    50    61    44    45    46    47    66    53  
   35    36  
   36  
    0  
   38    40    48    49    55    58    70    82    39    41    44    53    54  
   40    48    58    39    53  
   41    42    43    50    51    52    57   108    61    75    44    45    46    47    40    55    58    70    79    80    82  
   48    49    55    56    58    66    53    54  
   42    43    50    51    52    57    59    61    62    44    45    46    47    58    79    82  
   43    50    51    52    57    44    82  
   50    51    52    57    44    82  
   45    46    47    50    58    61    79    82  
   46    47    82  
   47    82  
   82  
   49    55    56    58    70    66    67    68    69    53    54  
   55    56    58    66    53  
   51    52    57    59    60    72    96   108    61    75    62    63    64    65    82  
   52    57    59    61    62  
   57    59    61    62  
   54    55  
    0  
   56    58    70    71    79    66    67    68    69  
   58    70    66    67    68    69  
   59    60    72    73    74    81    92    96   101   108   109   110    61    75    76    77    78   104    62    63    64    65    79    82  
   70    71    79    80    82    66    67    68    69  
   60    72    73    74    81    83    92    93    94    96   101   102   103   108    61    75   104   105   106   107    86    88    62    63    64    65    82  
   72    73    74    81    92    96   101    61   104    62  
   75    76    77    78    62    63    64    65    70    72    79    80    82    96   101   102   103   108   109   110  
   63    64    65    72    75    82    96   108  
   64    65  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    79    80    82  
   79    80    82  
   73    74    81    83    84    85    92    96   101   104    86    87    95    88    89    90    91  
   74    81    83    96    86    88  
   81    83    96    86    88  
   76    77    78    79    82   101   108   109   110  
   77    78    82   108  
   78    82   108  
   82   108  
   80    82   108  
   82  
   83    84    85    92    93    94    96    86    87    95    97    88    89    90    91  
  101   108   109   110  
   84    85    92    93    94    96   101   104    86    87    95    88    89    90    91  
   85    92    93    94    96    86    88  
   92    93    94    96    86    88  
   87    95    97    98    99   100    88    89    90    91    92  
   95    97    88  
   89    90    91    92    95  
   90    91  
   91  
    0  
   93    94    96   101   102   103   108   104   105   106   107  
   94    96   101   104  
   96   101   104  
   97    98    99   100  
  101   102   103   108   109   110   104   105   106   107  
   98    99   100  
   99   100  
  100  
    0  
  102   103   108   109   110   104   105   106   107  
  103   108   109   110   104  
  108   109   110   104  
  105   106   107   108  
  106   107  
  107  
    0  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    58   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    48   320.000  1.462
   40    53   510.000  1.338
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    58   317.000  1.510
   55    66   268.000  1.529
   58    70   549.000  1.340
   70    71   340.000  1.080
   70    79   380.000  1.444
   79    80   340.000  1.080
   79    82   549.000  1.340
   82    39   317.000  1.510
   82    61   317.000  1.510
   39    41   268.000  1.529
   39    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    59   268.000  1.529
   57    61   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    72   268.000  1.529
   59    96   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   268.000  1.529
   81    83   268.000  1.529
   81    86   317.000  1.522
   81    88   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96   101   268.000  1.529
   96   104   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108    61   268.000  1.529
   61    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   570.000  1.229
   86    95   214.000  1.327
   95    97   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    58    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    58    55    65.00000  117.92700
   33    58    70    70.00000  124.00000
   33    39    82    70.00000  112.02700
   33    39    41    58.35000  112.70000
   33    39    44    58.35000  112.70000
   37    40    48    65.00000  118.96000
   37    40    53    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    48    49    80.00000  123.72100
   40    48    55    65.00000  118.62400
   40    53    54    70.00000  107.45700
   48    55    56    35.00000  109.50000
   48    55    58    70.00000  109.06800
   48    55    66    63.00000  111.10000
   55    48    49    80.00000  120.40000
   55    58    70    70.00000  124.00000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    37.50000  110.70000
   58    33    37    70.00000  110.12100
   58    55    56    35.00000  109.50000
   58    70    71    35.00000  120.00000
   58    70    79    70.00000  123.01800
   70    79    80    35.00000  120.00000
   70    79    82    70.00000  123.01800
   79    70    71    35.00000  120.00000
   79    82    39    70.00000  124.00000
   79    82    61    70.00000  124.00000
   82    79    80    35.00000  120.00000
   82    39    41    70.00000  112.02700
   82    39    44    70.00000  112.02700
   82    61    57    70.00000  112.02700
   82    61   108    70.00000  112.02700
   82    61    75    70.00000  112.02700
   39    33    37    70.00000  112.02700
   39    33    58    70.00000  112.02700
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    50    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    57    58.35000  112.70000
   43    41    42    33.00000  107.80000
   50    41    42    37.50000  110.70000
   50    41    43    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   50    57    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    72    58.35000  112.70000
   57    59    96    58.35000  112.70000
   57    61   108    58.35000  112.70000
   57    61    75    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    72    73    37.50000  110.70000
   59    72    74    37.50000  110.70000
   59    72    81    58.35000  112.70000
   59    96    92    58.35000  112.70000
   59    96   101    58.35000  112.70000
   59    96   104    58.35000  112.70000
   72    59    60    37.50000  110.70000
   72    81    83    58.35000  112.70000
   72    81    86    63.00000  111.10000
   72    81    88    58.35000  112.70000
   74    72    73    33.00000  107.80000
   81    72    73    37.50000  110.70000
   81    72    74    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    92    58.35000  112.70000
   81    86    87    80.00000  120.40000
   81    86    95    81.00000  111.40000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    91    37.50000  110.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    96    58.35000  112.70000
   85    83    84    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    85    37.50000  110.70000
   92    96   101    58.35000  112.70000
   92    96   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   96    59    60    37.50000  110.70000
   96    59    72    58.35000  112.70000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   108    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
  101   108   109    37.50000  110.70000
  101   108   110    37.50000  110.70000
  101   108    61    58.35000  112.70000
  103   101   102    33.00000  107.80000
  108   101   102    37.50000  110.70000
  108   101   103    37.50000  110.70000
  108    61    75    58.35000  112.70000
  110   108   109    33.00000  107.80000
   61    82    39    65.00000  117.92700
   61    57    59    58.35000  112.70000
   61   108   109    37.50000  110.70000
   61   108   110    37.50000  110.70000
   61    75    76    37.50000  110.70000
   61    75    77    37.50000  110.70000
   61    75    78    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
  104    96   101    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    81    83    63.00000  111.10000
   86    95    97    83.00000  116.90000
   95    86    87    83.00000  123.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    81    83    58.35000  112.70000
   88    81    86    63.00000  111.10000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   62    57    59    58.35000  112.70000
   62    57    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    39    41    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    58    70.00000  112.02700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    40    48    85.00000  116.28000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
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   83    81    88    90   0.15000  1.0 3.0
   83    81    88    91   0.15000  1.0 3.0
   83    92   -96    59   0.56750  1.0 1.0
   83    92   -96    59  -0.07550 -1.0 2.0
   83    92   -96    59   0.20000  1.0 3.0
   83    92    96   101   0.56750  1.0 1.0
   83    92    96   101  -0.07550 -1.0 2.0
   83    92    96   101   0.20000  1.0 3.0
   83    92    96   104   0.56750  1.0 1.0
   83    92    96   104  -0.07550 -1.0 2.0
   83    92    96   104   0.20000  1.0 3.0
   84    83    92    93   0.15000  1.0 3.0
   84    83    92    94   0.15000  1.0 3.0
   84    83    92    96   0.15000  1.0 3.0
   85    83    92    93   0.15000  1.0 3.0
   85    83    92    94   0.15000  1.0 3.0
   85    83    92    96   0.15000  1.0 3.0
   92    96   101   102   0.15000  1.0 3.0
   92    96   101   103   0.15000  1.0 3.0
   92    96   101   108   0.56750  1.0 1.0
   92    96   101   108  -0.07550 -1.0 2.0
   92    96   101   108   0.20000  1.0 3.0
   92    96   104   105   0.15000  1.0 3.0
   92    96   104   106   0.15000  1.0 3.0
   92    96   104   107   0.15000  1.0 3.0
   93    92    96    59   0.15000  1.0 3.0
   93    92    96   101   0.15000  1.0 3.0
   93    92    96   104   0.15000  1.0 3.0
   94    92    96    59   0.15000  1.0 3.0
   94    92    96   101   0.15000  1.0 3.0
   94    92    96   104   0.15000  1.0 3.0
   96    59    72    73   0.15000  1.0 3.0
   96    59    72    74   0.15000  1.0 3.0
   96    59   -72    81   0.56750  1.0 1.0
   96    59   -72    81  -0.07550 -1.0 2.0
   96    59   -72    81   0.20000  1.0 3.0
   96   101   108   109   0.15000  1.0 3.0
   96   101   108   110   0.15000  1.0 3.0
   96   101   108    61   0.56750  1.0 1.0
   96   101   108    61  -0.07550 -1.0 2.0
   96   101   108    61   0.20000  1.0 3.0
  101    96   104   105   0.15000  1.0 3.0
  101    96   104   106   0.15000  1.0 3.0
  101    96   104   107   0.15000  1.0 3.0
  101   108    61    82   0.34400  1.0 1.0
  101   108    61    82   0.09450 -1.0 2.0
  101   108    61    82   0.11100  1.0 3.0
  101   108   -61    57   0.56750  1.0 1.0
  101   108   -61    57  -0.07550 -1.0 2.0
  101   108   -61    57   0.20000  1.0 3.0
  101   108    61    75   0.56750  1.0 1.0
  101   108    61    75  -0.07550 -1.0 2.0
  101   108    61    75   0.20000  1.0 3.0
  102   101   108   109   0.15000  1.0 3.0
  102   101   108   110   0.15000  1.0 3.0
  102   101   108    61   0.15000  1.0 3.0
  103   101   108   109   0.15000  1.0 3.0
  103   101   108   110   0.15000  1.0 3.0
  103   101   108    61   0.15000  1.0 3.0
  108    61    75    76   0.15000  1.0 3.0
  108    61    75    77   0.15000  1.0 3.0
  108    61    75    78   0.15000  1.0 3.0
  109   108    61    82   0.15000  1.0 3.0
  109   108    61    57   0.15000  1.0 3.0
  109   108    61    75   0.15000  1.0 3.0
  110   108    61    82   0.15000  1.0 3.0
  110   108    61    57   0.15000  1.0 3.0
  110   108    61    75   0.15000  1.0 3.0
   61    82    39    33   0.46850  1.0 1.0
   61    82    39    33   0.08550 -1.0 2.0
   61    82    39    33   0.09800  1.0 3.0
   61    82   -39    41   0.46850  1.0 1.0
   61    82   -39    41   0.08550 -1.0 2.0
   61    82   -39    41   0.09800  1.0 3.0
   61    82    39    44   0.46850  1.0 1.0
   61    82    39    44   0.08550 -1.0 2.0
   61    82    39    44   0.09800  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    72   0.56750  1.0 1.0
   61    57    59    72  -0.07550 -1.0 2.0
   61    57    59    72   0.20000  1.0 3.0
   61    57   -59    96   0.56750  1.0 1.0
   61    57   -59    96  -0.07550 -1.0 2.0
   61    57   -59    96   0.20000  1.0 3.0
   61    57    62    63   0.15000  1.0 3.0
   61    57    62    64   0.15000  1.0 3.0
   61    57    62    65   0.15000  1.0 3.0
  104    96   101   102   0.15000  1.0 3.0
  104    96   101   103   0.15000  1.0 3.0
  104    96   101   108   0.56750  1.0 1.0
  104    96   101   108  -0.07550 -1.0 2.0
  104    96   101   108   0.20000  1.0 3.0
   86    81    83    84  -0.11250  1.0 3.0
   86    81    83    85  -0.11250  1.0 3.0
   86    81    83    92  -0.95700  1.0 1.0
   86    81    83    92  -0.18200 -1.0 2.0
   86    81    83    92   0.29450  1.0 3.0
   86    81    88    89  -0.11250  1.0 3.0
   86    81    88    90  -0.11250  1.0 3.0
   86    81    88    91  -0.11250  1.0 3.0
   86    95    97    98   0.08050  1.0 3.0
   86    95    97    99   0.08050  1.0 3.0
   86    95    97   100   0.08050  1.0 3.0
   87    86    95    97   3.00000 -1.0 2.0
   88    81    83    84   0.15000  1.0 3.0
   88    81    83    85   0.15000  1.0 3.0
   88    81    83    92   0.56750  1.0 1.0
   88    81    83    92  -0.07550 -1.0 2.0
   88    81    83    92   0.20000  1.0 3.0
   88    81    86    87   0.30150 -1.0 2.0
   88    81    86    95   0.36750  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    72   0.56750  1.0 1.0
   62    57    59    72  -0.07550 -1.0 2.0
   62    57    59    72   0.20000  1.0 3.0
   62    57    59    96   0.56750  1.0 1.0
   62    57    59    96  -0.07550 -1.0 2.0
   62    57    59    96   0.20000  1.0 3.0
   62    57    61    82   0.34400  1.0 1.0
   62    57    61    82   0.09450 -1.0 2.0
   62    57    61    82   0.11100  1.0 3.0
   62    57    61   108   0.56750  1.0 1.0
   62    57    61   108  -0.07550 -1.0 2.0
   62    57    61   108   0.20000  1.0 3.0
   62    57    61    75   0.56750  1.0 1.0
   62    57    61    75  -0.07550 -1.0 2.0
   62    57    61    75   0.20000  1.0 3.0
   44    39    41    42   0.15000  1.0 3.0
   44    39    41    43   0.15000  1.0 3.0
   44    39    41    50   0.56750  1.0 1.0
   44    39    41    50  -0.07550 -1.0 2.0
   44    39    41    50   0.20000  1.0 3.0
   66    55    58    33   0.46850  1.0 1.0
   66    55    58    33   0.08550 -1.0 2.0
   66    55    58    33   0.09800  1.0 3.0
   66    55    58    70   0.09850  1.0 1.0
   66    55    58    70   0.15250 -1.0 2.0
   66    55    58    70  -0.50650  1.0 3.0
   53    40    48    49  -0.11900  1.0 1.0
   53    40    48    49   0.76850 -1.0 2.0
   53    40    48    49   0.14100  1.0 3.0
   53    40    48    55   0.32450 -1.0 2.0
   53    40    48    55   0.17400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   48    53    40    37   1.10000 -1.0 2.0
   40    55    48    49  10.50000 -1.0 2.0
   33    55    58    70   1.10000 -1.0 2.0
   79    71    70    58   1.10000 -1.0 2.0
   70    80    79    82   1.10000 -1.0 2.0
   39    61    82    79   1.10000 -1.0 2.0
   81    95    86    87  10.50000 -1.0 2.0
END
