* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    206    341     625
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02115    64.99389  -103.51423
    3     1 S   H    _H1_     3     1.02033   105.52935     0.17583
    4     1 S   H    _H2_     4     1.02143    47.56160   101.54063
    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     1.08491   110.62044    58.69465
   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   _C20    36     1.87478    96.45989  -178.15814
   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   _C21    37     1.52353   104.94957    40.02170
   38    37 S   HC   _H20    38     1.08953   116.89731   -67.11118
   39    33 S   CT   _C15    50     1.61515   113.51614   -81.95837
   40    37 S   CM   _C22    39     1.33885   125.70998   115.81439
   41    39 S   CT   _C14    51     1.54631   113.88408    56.59603
   42    41 S   HC   _H16    52     1.07875   110.76737    65.60134
   43    41 S   HC   _H17    53     1.07629   110.26133   -51.24131
   44    39 S   CT   _C26    94     1.57156   107.42560   174.10828
   45    44 S   HC   _H26    95     1.07335   107.46622   -61.73277
   46    44 S   HC   _H27    96     1.07372   107.44365   178.23686
   47    44 S   HC   _H28    97     1.07389   107.43567    58.22426
   48    40 S   CO4  _C23    40     1.48510   119.17703    -4.17495
   49    48 S   O    _O33    41     1.22936   119.54734   161.81632
   50    41 S   CT   _C13    54     1.53790   114.73130  -171.60050
   51    50 S   HC   _H14    55     1.09218   104.84109   164.18672
   52    50 S   HC   _H15    56     1.09739   109.83185   -84.08490
   53    40 S   OH   _O34   102     1.37645   121.77966   175.18244
   54    53 S   HO   _H25   103     0.96347   110.08318  -179.97202
   55    48 S   CT   _C24    42     1.52593   117.11522   -22.46654
   56    55 S   HC   _H21    43     1.09874   106.31196   -68.49215
   57    50 S   CT   _C12    57     1.57601   117.15838    41.61113
   58    33 S   CM   _C19    44     1.54718   105.41381   158.40571
   59    57 S   CT   _C7_    58     1.60036   112.82027   136.58558
   60    59 S   HC   _H4_    59     1.11470   107.11995    69.85041
   61    83 S   CT   _C11    77     1.56102   122.70992  -167.40006
   62    57 S   CT   _C27    90     1.57319   104.26576  -109.44121
   63    62 S   HC   _H29    91     1.07508   107.84484   179.97202
   64    62 S   HC   _H30    92     1.07555   107.83149    59.96397
   65    62 S   HC   _H31    93     1.07634   107.80656   -59.98539
   66    55 S   CT   _C25    98     1.53152   110.46006   176.23262
   67    66 S   HC   _H22    99     1.08783   109.56058   -64.87930
   68    66 S   HC   _H23   100     1.08679   109.61143   175.12645
   69    66 S   HC   _H24   101     1.08748   109.61125    55.08654
   70    58 S   CM   _C18    45     1.34890   119.03235    93.35271
   71    70 S   HC   _H19    46     1.08312   122.35307  -179.77971
   72    59 S   CT   _C6_    60     1.55899   116.54887   -43.54878
   73    72 S   HC   _H8_    61     1.07772   110.10288    47.09535
   74    72 S   HC   _H9_    62     1.06970   111.27114   -73.91018
   75    61 S   CT   _C28    78     1.55547   105.58230    90.07755
   76    75 S   HC   _H32    79     1.07747   108.17653   179.98022
   77    75 S   HC   _H33    80     1.07868   108.13406    60.00221
   78    75 S   HC   _H34    81     1.07802   108.15058   -59.94690
   79    70 S   CM   _C17    47     1.44691   121.62644    -6.62791
   80    79 S   HC   _H18    48     1.08278   114.79195  -153.38189
   81    72 S   CT   _C5_    63     1.54129   112.63297   165.61597
   82    81 S   HC   _H3_    64     1.09482   108.27422   164.45141
   83    79 S   CM   _C16    49     1.35021   122.49665    21.33289
   84    81 S   CO4  _C30    65     1.51453   110.04480    46.87826
   85    84 S   O    _O35    66     1.23028   122.39108  -170.22799
   86    81 S   CT   _C4_    86     1.52643   112.56624   -76.65640
   87    86 S   HC   _H5_    87     1.08960   109.90965    60.74924
   88    86 S   HC   _H6_    88     1.08978   109.92630   -59.17756
   89    86 S   HC   _H7_    89     1.08908   109.97802  -179.18291
   90    84 S   CT   _C29    67     1.50664   116.02680    12.75874
   91    90 S   HC   _H35    68     1.08711   108.50589    63.29331
   92    90 S   HC   _H36    69     1.08574   107.14340   179.48074
   93    59 S   CT   _C8_    70     1.59654   115.33280  -174.67671
   94    93 S   CT   _C9_    71     1.55654   115.05771    28.00691
   95    94 S   HC   _H10    72     1.11807   108.66775  -148.50721
   96    94 S   HC   _H11    73     1.11512   108.81749   100.95725
   97    93 S   CT   _C31    82     1.55503   110.24676   -95.52621
   98    97 S   HC   _H37    83     1.08107   108.53505    59.86226
   99    97 S   HC   _H38    84     1.08025   108.58718   -60.11619
  100    97 S   HC   _H39    85     1.08062   108.54370   179.82196
  101    94 S   CT   _C10    74     1.53203   118.98791   -25.22667
  102   101 S   HC   _H12    75     1.09931   106.30022   163.23833
  103   101 S   HC   _H13    76     1.09672   109.59822   -83.67014
  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  14   6   5   9   4   3   2   3   1
  11   7   4  11   5   4   2   1   1  11   4   3  10   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    83    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    83    39    41    42    43    50    61    44    45    46    47    66    53  
   35    36  
   36  
    0  
   38    40    48    49    55    58    70    83    39    41    44    53    54  
   40    48    58    39    53  
   41    42    43    50    51    52    57   101    61    75    44    45    46    47    40    55    58    70    79    80    83  
   48    49    55    56    58    66    53    54  
   42    43    50    51    52    57    59    61    62    44    45    46    47    58    79    83  
   43    50    51    52    57    44    83  
   50    51    52    57    44    83  
   45    46    47    50    58    61    79    83  
   46    47    83  
   47    83  
   83  
   49    55    56    58    70    66    67    68    69    53    54  
   55    56    58    66    53  
   51    52    57    59    60    72    93   101    61    75    62    63    64    65    83  
   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    90    93    94   101   102   103    61    75    76    77    78    97    62    63    64    65    79    83  
   70    71    79    80    83    66    67    68    69  
   60    72    73    74    81    82    84    90    91    92    93    94    95    96   101    61    75    97    98    99   100    86    62    63    64    65    83  
   72    73    74    81    90    93    94    61    97    62  
   75    76    77    78    62    63    64    65    70    72    79    80    83    93    94    95    96   101   102   103  
   63    64    65    72    75    83    93   101  
   64    65  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    79    80    83  
   79    80    83  
   73    74    81    82    84    85    90    93    94    97    86    87    88    89  
   74    81    82    84    93    86  
   81    82    84    93    86  
   76    77    78    79    83    94   101   102   103  
   77    78    83   101  
   78    83   101  
   83   101  
   80    83   101  
   83  
   82    84    85    90    91    92    93    86    87    88    89  
   84    85    90    86    87    88    89  
   94   101   102   103  
   85    90    91    92    93    94    97    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96   101    97    98    99   100  
   92    93    94    97  
   93    94    97  
   94    95    96   101   102   103    97    98    99   100  
   95    96   101   102   103    97    98    99   100  
   96   101   102   103    97  
  101   102   103    97  
   98    99   100   101  
   99   100  
  100  
    0  
  102   103  
  103  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   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
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    83   549.000  1.340
   83    39   317.000  1.510
   83    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    93   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   268.000  1.529
   81    82   340.000  1.090
   81    84   317.000  1.522
   81    86   268.000  1.529
   84    85   570.000  1.229
   84    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   268.000  1.529
   93    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101    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
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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    83    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    83    70.00000  123.01800
   79    70    71    35.00000  120.00000
   79    83    39    70.00000  124.00000
   79    83    61    70.00000  124.00000
   83    79    80    35.00000  120.00000
   83    39    41    70.00000  112.02700
   83    39    44    70.00000  112.02700
   83    61    57    70.00000  112.02700
   83    61   101    70.00000  112.02700
   83    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    93    58.35000  112.70000
   57    61   101    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    93    90    58.35000  112.70000
   59    93    94    58.35000  112.70000
   59    93    97    58.35000  112.70000
   72    59    60    37.50000  110.70000
   72    81    82    37.50000  110.70000
   72    81    84    63.00000  111.10000
   72    81    86    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    84    85    80.00000  120.40000
   81    84    90    70.00000  116.00000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    89    37.50000  110.70000
   84    81    82    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    63.00000  111.10000
   90    84    85    80.00000  120.40000
   90    93    94    58.35000  112.70000
   90    93    97    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    59    60    37.50000  110.70000
   93    59    72    58.35000  112.70000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    94    95    37.50000  110.70000
   93    94    96    37.50000  110.70000
   93    94   101    58.35000  112.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101    61    58.35000  112.70000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101    61    75    58.35000  112.70000
  103   101   102    33.00000  107.80000
   61    83    39    65.00000  117.92700
   61    57    59    58.35000  112.70000
   61   101   102    37.50000  110.70000
   61   101   103    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
   97    93    94    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    84    63.00000  111.10000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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
   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
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   94   101   -61    57   0.20000  1.0 3.0
   94   101    61    75   0.56750  1.0 1.0
   94   101    61    75  -0.07550 -1.0 2.0
   94   101    61    75   0.20000  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101    61   0.15000  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101    61   0.15000  1.0 3.0
  101    61    75    76   0.15000  1.0 3.0
  101    61    75    77   0.15000  1.0 3.0
  101    61    75    78   0.15000  1.0 3.0
  102   101    61    83   0.15000  1.0 3.0
  102   101    61    57   0.15000  1.0 3.0
  102   101    61    75   0.15000  1.0 3.0
  103   101    61    83   0.15000  1.0 3.0
  103   101    61    57   0.15000  1.0 3.0
  103   101    61    75   0.15000  1.0 3.0
   61    83    39    33   0.46850  1.0 1.0
   61    83    39    33   0.08550 -1.0 2.0
   61    83    39    33   0.09800  1.0 3.0
   61    83   -39    41   0.46850  1.0 1.0
   61    83   -39    41   0.08550 -1.0 2.0
   61    83   -39    41   0.09800  1.0 3.0
   61    83    39    44   0.46850  1.0 1.0
   61    83    39    44   0.08550 -1.0 2.0
   61    83    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    93   0.56750  1.0 1.0
   61    57   -59    93  -0.07550 -1.0 2.0
   61    57   -59    93   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
   97    93    94    95   0.15000  1.0 3.0
   97    93    94    96   0.15000  1.0 3.0
   97    93    94   101   0.56750  1.0 1.0
   97    93    94   101  -0.07550 -1.0 2.0
   97    93    94   101   0.20000  1.0 3.0
   86    81    84    85   0.30150 -1.0 2.0
   86    81    84    90   0.60050  1.0 1.0
   86    81    84    90   0.05600 -1.0 2.0
   86    81    84    90   0.26150  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    93   0.56750  1.0 1.0
   62    57    59    93  -0.07550 -1.0 2.0
   62    57    59    93   0.20000  1.0 3.0
   62    57    61    83   0.34400  1.0 1.0
   62    57    61    83   0.09450 -1.0 2.0
   62    57    61    83   0.11100  1.0 3.0
   62    57    61   101   0.56750  1.0 1.0
   62    57    61   101  -0.07550 -1.0 2.0
   62    57    61   101   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    83   1.10000 -1.0 2.0
   39    61    83    79   1.10000 -1.0 2.0
   81    90    84    85  10.50000 -1.0 2.0
END
