* LIGAND DATABASE FILE (OPLS2005)
*
001     106   113    212    361     633
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   105.60241   -28.21466
    3     1 S   H    _H1_     3     1.02092    64.55800    75.39164
    4     1 S   H    _H2_     4     1.02097    47.90906  -129.55328
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   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   _C16    36     1.81556    97.88385   161.83665
   34    33 S   HC   _H4_    37     1.14747   106.01223    40.05567
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C17    38     1.52900   118.54382   160.01564
   39    38 S   HC   _H5_    39     1.12855   107.11640  -164.07599
   40    38 S   CT   _C18    40     1.53472   115.96139    78.67913
   41    40 S   HC   _H6_    41     1.10426   104.70021   164.80289
   42    38 S   CO4  _C33   100     1.50482   112.37596   -52.86598
   43    42 S   O    _O33   101     1.22337   124.11459     5.55347
   44    40 S   CT   _C32    42     1.53768   115.15543   -79.21157
   45    44 S   HC   _H32    43     1.09660   109.65256    53.86925
   46    44 S   HC   _H33    44     1.09934   108.02916   -60.89858
   47    40 S   CT   _C19    71     1.55120   111.24004    51.00084
   48    47 S   HC   _H7_    72     1.09618   105.05014    68.72370
   49    42 S   OS   _O34   102     1.36323   109.48500  -174.37845
   50    44 S   CT   _C31    45     1.53572   113.92949   178.13303
   51    50 S   HC   _H8_    46     1.13946   108.19302  -164.50356
   52    47 S   CT   _C5_    73     1.57527   116.32899   -50.03225
   53    49 S   CT   _C34   103     1.43156   115.45467   179.96044
   54    53 S   HC   _H34   104     1.09197   109.52988   180.00000
   55    53 S   HC   _H35   105     1.09320   109.51807    59.17717
   56    53 S   HC   _H36   106     1.09199   108.98569   -60.36247
   57    50 S   C5A  _C30    47     1.50339   114.85979    80.16305
   58    52 S   C5A  _C6_    74     1.53039   110.85358   164.29880
   59    52 S   CT   _C4_    96     1.54256   116.43000   -74.01456
   60    59 S   HC   _H9_    97     1.07990   108.59612    55.99151
   61    59 S   HC   _H10    98     1.08042   108.55908   -64.03181
   62    59 S   HC   _H11    99     1.08036   108.53887   175.98434
   63    57 S   C5B  _C23    48     1.38037   124.78442  -149.14661
   64    57 S   NA   _N7_    59     1.36606   126.94306    34.82339
   65    64 S   H    _H31    60     1.01162   125.50418    -2.03346
   66    58 S   C5B  _C7_    75     1.38082   126.88151  -110.02721
   67    58 S   NA   _N4_    86     1.37204   125.84838    73.69605
   68    67 S   H    _H16    87     1.01318   125.21147    -0.29342
   69    63 S   C56B _C24    49     1.42050   107.73990  -178.10473
   70    63 S   CT   _C22    61     1.48993   121.44055     3.11759
   71    70 S   HC   _H25    62     1.09683   108.70436   108.58252
   72    70 S   HC   _H26    63     1.09462   110.57030  -133.27634
   73    66 S   C56B _C8_    76     1.42356   108.16041  -179.05415
   74    66 S   CT   _C14    88     1.47995   122.34342    -0.47478
   75    74 S   HC   _H17    89     1.09259   109.12671   144.38426
   76    74 S   HC   _H18    90     1.09159   110.25358   -98.06968
   77    69 S   CA   _C25    50     1.40944   134.49350  -179.21019
   78    77 S   HA   _H27    51     1.08692   120.80206     0.17694
   79    70 S   CT   _C21    64     1.54890   110.89171   -11.64720
   80    79 S   HC   _H23    65     1.11117   107.27842   163.10638
   81    79 S   HC   _H24    66     1.11450   109.61396   -83.46571
   82    73 S   CA   _C9_    77     1.40973   134.47918  -179.59074
   83    82 S   HA   _H12    78     1.08613   120.79832     0.48254
   84    74 S   CT   _C15    91     1.52526   110.87412    22.87668
   85    84 S   HC   _H19    92     1.08972   112.25640    69.48974
   86    84 S   HC   _H20    93     1.09014   111.76315  -171.65193
   87    77 S   CA   _C26    52     1.39917   119.29996  -179.81337
   88    87 S   HA   _H28    53     1.08665   119.55757  -179.97202
   89    50 S   NT   _N6_    67     1.48882   111.98546   -47.25942
   90    82 S   CA   _C10    79     1.39972   119.28496  -179.53733
   91    90 S   HA   _H13    80     1.08627   119.57563  -179.80021
   92    33 S   NP   _N5_    94     1.52564   110.49257   -70.74139
   93    92 S   H    _H3_    95     1.06135   104.88043    33.61539
   94    87 S   CA   _C27    54     1.39314   120.76018     0.05234
   95    94 S   HA   _H29    55     1.08701   119.53681   179.91153
   96    89 S   CT   _C20    68     1.46866   112.75108    51.67517
   97    96 S   HC   _H21    69     1.11021   110.95832   173.94010
   98    96 S   HC   _H22    70     1.10865   106.35441    60.89175
   99    90 S   CA   _C11    81     1.39289   120.73884     0.22294
  100    99 S   HA   _H14    82     1.08634   119.61273  -179.92338
  101    94 S   CA   _C28    56     1.39801   121.06325    -0.09487
  102   101 S   HA   _H30    57     1.08508   120.93531  -180.00000
  103    99 S   CA   _C12    83     1.39787   121.00876     0.09065
  104   103 S   HA   _H15    84     1.08509   120.98555   179.77794
  105    69 S   C56A _C29    58     1.39875   106.83328     0.89962
  106    73 S   C56A _C13    85     1.39441   106.82081     1.20528
  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  10   5   4   3
  19   8   2   1   1  18   8  20   9   9   2  13   6   5  18   8
   4  15   6  20   3   2   1   1  13  18   9   3   2   1  15   9
   3  15   9   3  12   9   5   4  12   9   5   4   7   4   6   3
   2   7   4   4   3   2   6   3   3   6   3   2   1   4   3   2
   1   1   4   3   2   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    84    92    93    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    58    74    84    85    86    92    93    59    42    43    49  
   38    39    40    52    84    92    93    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    96    47    48    52    84    92    93    42    43    49    53  
   40    41    44    47    92    42    43    49  
   41    44    45    46    50    51    57    89    96    97    98    47    48    52    58    92    59    42    43    49  
   44    45    46    50    96    47    48    52    42  
   43    49    53    54    55    56    44    47    92  
   49    53  
   45    46    50    51    57    63    64    79    89    96    47    48    52  
   46    50    51    57    89    47  
   50    51    57    89    47  
   48    52    58    66    67    84    92    93    59    60    61    62    50    79    89    96    97    98  
   52    58    92    59    89    96    97    98  
   53    54    55    56  
   51    57    63    69   105    64    65    70    79    80    81    89    96    97    98  
   57    63    64    79    89    96  
   58    66    73   106    67    68    74    84    85    86    92    93    59    60    61    62    89    96    97    98  
   54    55    56  
   55    56  
   56  
    0  
   63    69    77   101   105    64    65    70    71    72    79    89    96  
   66    73    82   103   106    67    68    74    75    76    84    92    93    59    60    61    62    96  
   60    61    62    66    67    84    92    93    96  
   61    62    92  
   62    92  
   92  
   69    77    78    87   101   105    64    65    70    71    72    79    80    81    89  
   65    70    89    69    77    94   101   102   105  
   69   101   105  
   73    82    83    90   103   106    67    68    74    75    76    84    85    86    92  
   68    74    92    73    82    99   103   104   106  
   73   103   106  
   77    78    87    88    94   101   102   105    70    71    72    79  
   71    72    79    80    81    89    96    77   105  
   72    79    80    81    89  
   79    80    81    89  
   82    83    90    91    99   103   104   106    74    75    76    84  
   75    76    84    85    86    92    93    82   106  
   76    84    85    86    92  
   84    85    86    92  
   78    87    88    94    95   101   105  
   87    88    94   105  
   80    81    89    96    97    98  
   81    89    96  
   89    96  
   83    90    91    99   100   103   106  
   90    91    99   106  
   85    86    92    93  
   86    92    93  
   92    93  
   88    94    95   101   102   105  
   94    95   101  
   96    97    98  
   91    99   100   103   104   106  
   99   100   103  
   93    96  
    0  
   95   101   102   105  
  101   102   105  
   97    98  
   98  
    0  
  100   103   104   106  
  103   104   106  
  102   105  
  105  
  104   106  
  106  
    0  
    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  -0.175000   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   0.217500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.385000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   89   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   93   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  101   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  103   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  105   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
  106   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    92   367.000  1.471
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    57   295.000  1.489
   50    89   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    69   380.000  1.440
   63    70   295.000  1.494
   69    77   469.000  1.404
   69   105   447.000  1.419
   77    78   367.000  1.080
   77    87   469.000  1.400
   87    88   367.000  1.080
   87    94   469.000  1.400
   94    95   367.000  1.080
   94   101   469.000  1.400
  101   102   367.000  1.080
  101   105   469.000  1.400
  105    64   428.000  1.380
   64    65   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    89   382.000  1.448
   89    96   382.000  1.448
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    58   295.000  1.489
   52    92   367.000  1.471
   52    59   268.000  1.529
   58    66   520.000  1.370
   58    67   427.000  1.381
   66    73   380.000  1.440
   66    74   295.000  1.494
   73    82   469.000  1.404
   73   106   447.000  1.419
   82    83   367.000  1.080
   82    90   469.000  1.400
   90    91   367.000  1.080
   90    99   469.000  1.400
   99   100   367.000  1.080
   99   103   469.000  1.400
  103   104   367.000  1.080
  103   106   469.000  1.400
  106    67   428.000  1.380
   67    68   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   367.000  1.471
   92    93   434.000  1.010
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    92    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    92    52    75.00000  113.01200
   33    92    84    75.00000  113.01200
   33    92    93    35.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    96    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    57    70.00000  113.44400
   44    50    89    56.20000  109.47000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    57    63    55.00000  130.44200
   50    57    64    65.00000  122.56900
   50    89    79    51.80000  107.20000
   50    89    96    51.80000  107.20000
   57    50    51    45.00000  110.47400
   57    63    69    80.00000  105.82900
   57    63    70    55.00000  127.77900
   57    64   105    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    69    77    50.00000  134.85500
   63    69   105    80.00000  107.43600
   63    70    71    45.00000  111.11700
   63    70    72    45.00000  111.11700
   63    70    79    70.00000  112.62400
   69    77    78    35.00000  120.00000
   69    77    87    63.00000  120.00000
   69   105   101    85.00000  122.70000
   69   105    64    70.00000  104.40000
   77    87    88    35.00000  120.00000
   77    87    94    63.00000  120.00000
   87    77    78    35.00000  120.00000
   87    94    95    35.00000  120.00000
   87    94   101    63.00000  120.00000
   94    87    88    35.00000  120.00000
   94   101   102    35.00000  120.00000
   94   101   105    85.00000  120.00000
  101    94    95    35.00000  120.00000
  101   105    64    70.00000  132.80000
  105    69    77    85.00000  116.20000
  105   101   102    35.00000  120.00000
  105    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   70    63    69    55.00000  128.73000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    89    56.20000  109.47000
   72    70    71    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    72    37.50000  110.70000
   79    89    96    51.80000  107.20000
   81    79    80    33.00000  107.80000
   89    50    51    35.00000  109.50000
   89    50    57    75.00000  112.58000
   89    79    80    35.00000  109.50000
   89    79    81    35.00000  109.50000
   89    96    97    35.00000  109.50000
   89    96    98    35.00000  109.50000
   89    96    47    56.20000  109.47000
   96    47    48    37.50000  110.70000
   96    47    52    58.35000  112.70000
   98    96    97    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    96    97    37.50000  110.70000
   47    96    98    37.50000  110.70000
   47    52    58    70.00000  113.44400
   47    52    92    80.00000  111.20000
   47    52    59    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    66    55.00000  130.44200
   52    58    67    65.00000  122.56900
   52    92    84    75.00000  113.01200
   52    92    93    35.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   58    66    73    80.00000  105.82900
   58    66    74    55.00000  127.77900
   58    67   106    90.00000  107.14200
   58    67    68    35.00000  120.00000
   66    73    82    50.00000  134.85500
   66    73   106    80.00000  107.43600
   66    74    75    45.00000  111.11700
   66    74    76    45.00000  111.11700
   66    74    84    70.00000  112.62400
   73    82    83    35.00000  120.00000
   73    82    90    63.00000  120.00000
   73   106   103    85.00000  122.70000
   73   106    67    70.00000  104.40000
   82    90    91    35.00000  120.00000
   82    90    99    63.00000  120.00000
   90    82    83    35.00000  120.00000
   90    99   100    35.00000  120.00000
   90    99   103    63.00000  120.00000
   99    90    91    35.00000  120.00000
   99   103   104    35.00000  120.00000
   99   103   106    85.00000  120.00000
  103    99   100    35.00000  120.00000
  103   106    67    70.00000  132.80000
  106    73    82    85.00000  116.20000
  106   103   104    35.00000  120.00000
  106    67    68    35.00000  123.10000
   67    58    66    70.00000  106.30000
   74    66    73    55.00000  128.73000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    92    80.00000  111.20000
   76    74    75    33.00000  107.80000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   84    92    93    35.00000  109.50000
   86    84    85    33.00000  107.80000
   92    33    34    35.00000  109.50000
   92    33    38    80.00000  111.20000
   92    52    58    75.00000  111.64000
   92    84    85    35.00000  109.50000
   92    84    86    35.00000  109.50000
   59    52    58    70.00000  113.44400
   59    52    92    80.00000  111.20000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
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   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   69    70    63    57   4.00000 -1.0 2.0
   77   105    69    63   4.00000 -1.0 2.0
   87    78    77    69   1.10000 -1.0 2.0
   94    88    87    77   1.10000 -1.0 2.0
  101    95    94    87   1.10000 -1.0 2.0
  105   102   101    94   1.10000 -1.0 2.0
  101    64   105    69   4.00000 -1.0 2.0
   65    57    64   105   1.00000 -1.0 2.0
   66    67    58    52   4.00000 -1.0 2.0
   73    74    66    58   4.00000 -1.0 2.0
   82   106    73    66   4.00000 -1.0 2.0
   90    83    82    73   1.10000 -1.0 2.0
   99    91    90    82   1.10000 -1.0 2.0
  103   100    99    90   1.10000 -1.0 2.0
  106   104   103    99   1.10000 -1.0 2.0
  103    67   106    73   4.00000 -1.0 2.0
   68    58    67   106   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
