* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    149    237     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078   104.17759     6.90078
    3     1 S   H    _H1_     3     1.02101    43.90333   109.26946
    4     1 S   H    _H2_     4     1.02113    69.18161   -97.96902
    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   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C14    36     1.84591    97.41096  -158.15226
   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   CT   _C13    37     1.57383   115.63952    59.97916
   38    37 S   HC   _H6_    38     1.10174   107.61059  -123.43656
   39    33 S   CT   _C10    49     1.58836   113.91583   179.37380
   40    33 S   CT   _C15    74     1.55117   103.25712   -57.54400
   41    40 S   HC   _H18    75     1.08189   108.60083   -57.07376
   42    40 S   HC   _H19    76     1.08038   108.62722  -177.11052
   43    40 S   HC   _H20    77     1.08039   108.62397    62.87850
   44    37 S   CT   _C12    39     1.55643   106.58204   124.57132
   45    44 S   HC   _H5_    40     1.09712   110.12646   147.52037
   46    44 S   CT   _C11    50     1.54809   100.11167    31.48923
   47    46 S   HC   _H4_    51     1.09946   108.02656    63.54933
   48    39 S   CT   _C18    57     1.53733   114.06180    83.56159
   49    48 S   HC   _H25    58     1.08601   109.32151    52.90686
   50    48 S   HC   _H26    59     1.08556   109.38416   -67.08404
   51    48 S   HC   _H27    60     1.08555   109.32545   172.87652
   52    37 S   CO4  _C16    71     1.49815   118.52477    -7.46587
   53    52 S   O    _O33    72     1.22701   123.44658  -148.49158
   54    52 S   HC   _H21    73     1.10309   115.60628    31.54625
   55    44 S   CT   _C7_    41     1.54933   117.00267   -87.10601
   56    55 S   HC   _H3_    42     1.09749   107.18942   169.43254
   57    46 S   CT   _C17    52     1.52668   116.32092  -178.74946
   58    57 S   HC   _H22    53     1.08908   109.84983  -179.96574
   59    57 S   HC   _H23    54     1.08914   109.96057    59.04859
   60    55 S   CT   _C8_    43     1.53134   111.92959    52.11032
   61    60 S   HC   _H14    44     1.09383   110.12477   -81.37541
   62    60 S   HC   _H15    45     1.09721   109.71372   163.19713
   63    57 S   OH   _O34    55     1.41568   108.51510   -60.52049
   64    63 S   HO   _H24    56     0.97181   107.11883   180.00000
   65    55 S   CT   _C5_    61     1.53034   114.20324   -75.87297
   66    65 S   HC   _H10    62     1.09557   108.19302    68.17540
   67    60 S   CT   _C9_    46     1.53374   112.76710    41.44238
   68    67 S   HC   _H16    47     1.09756   107.93776    82.17561
   69    67 S   HC   _H17    48     1.09665   109.13825  -165.05753
   70    65 S   CT   _C4_    63     1.52653   110.48093  -173.22416
   71    70 S   HC   _H7_    64     1.09533   111.36840    61.57178
   72    70 S   HC   _H8_    65     1.09486   110.81963   -58.69121
   73    70 S   HC   _H9_    66     1.09457   110.65884  -178.25471
   74    65 S   CT   _C6_    67     1.52610   110.48789   -50.41797
   75    74 S   HC   _H11    68     1.09557   111.41236   -61.52640
   76    74 S   HC   _H12    69     1.09492   110.69907   178.26743
   77    74 S   HC   _H13    70     1.09522   110.81798    58.69206
  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  13   5   4   3
  24   2   1   1  20   9  24   8   2   1   1  21   8  18   7   8
   3   2   1   3   1   1  18   8   5   3   2   9   5   4   1   1
  10   8   2   1   1   7   3   2   1   3   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    67    39    46    48    52    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    55    60    67    68    69    39    46    47    57    48    49    50    51    52    53    54    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    55    56    60    67    39    46    47    57    48    65    52    53    54    40    41    42    43  
   44    45    55    39    46    52    53    54    40  
   46    47    57    58    59    63    48    49    50    51    52    40    41    42    43    44    45    55    60    61    62    67    68    69  
   41    42    43    44    46    48    52    67  
   42    43  
   43  
    0  
   45    55    56    60    61    62    67    46    47    57    58    59    63    48    65    66    70    74    52    53    54  
   55    56    60    46    47    57    65    52  
   47    57    58    59    63    64    48    49    50    51    65    52    55    56    60    67    68    69  
   57    58    59    63    48    55    67  
   49    50    51    57    60    67    68    69  
   50    51    67  
   51    67  
   67  
   53    54    55  
   54  
    0  
   56    60    61    62    67    68    69    57    65    66    70    71    72    73    74    75    76    77  
   60    61    62    67    65    66    70    74  
   58    59    63    64    67  
   59    63    64  
   63    64  
   61    62    67    68    69    65    66    70    74  
   62    67    68    69    65  
   67    68    69    65  
   64  
    0  
   66    70    71    72    73    74    75    76    77    67  
   70    71    72    73    74    75    76    77  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   268.000  1.529
   37    52   317.000  1.522
   44    45   340.000  1.090
   44    55   268.000  1.529
   44    46   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    65   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    46   268.000  1.529
   39    48   268.000  1.529
   46    47   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   320.000  1.410
   63    64   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   570.000  1.229
   52    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    37    52    63.00000  111.10000
   33    39    67    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    55    58.35000  112.70000
   37    44    46    58.35000  112.70000
   37    52    53    80.00000  120.40000
   37    52    54    35.00000  115.00000
   44    37    38    37.50000  110.70000
   44    55    56    37.50000  110.70000
   44    55    60    58.35000  112.70000
   44    55    65    58.35000  112.70000
   44    46    39    58.35000  112.70000
   44    46    47    37.50000  110.70000
   44    46    57    58.35000  112.70000
   55    44    45    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    67    58.35000  112.70000
   55    65    66    37.50000  110.70000
   55    65    70    58.35000  112.70000
   55    65    74    58.35000  112.70000
   60    55    56    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    39    46    58.35000  112.70000
   67    39    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    57    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    44    55    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    63    50.00000  109.50000
   57    46    47    37.50000  110.70000
   57    63    64    55.00000  108.50000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   48    39    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    60    58.35000  112.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    77    37.50000  110.70000
   70    65    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    37    38    35.00000  109.50000
   52    37    44    63.00000  111.10000
   54    52    53    35.00000  123.00000
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
   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
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    37    52   0.56750  1.0 1.0
   29    33    37    52  -0.07550 -1.0 2.0
   29    33    37    52   0.20000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    55   0.56750  1.0 1.0
   33    37    44    55  -0.07550 -1.0 2.0
   33    37    44    55   0.20000  1.0 3.0
   33    37   -44    46   0.56750  1.0 1.0
   33    37   -44    46  -0.07550 -1.0 2.0
   33    37   -44    46   0.20000  1.0 3.0
   33    37    52    53   0.30150 -1.0 2.0
   33    37    52    54   0.74550  1.0 1.0
   33    37    52    54  -0.00500 -1.0 2.0
   33    39   -46    44   0.56750  1.0 1.0
   33    39   -46    44  -0.07550 -1.0 2.0
   33    39   -46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    57   0.56750  1.0 1.0
   33    39    46    57  -0.07550 -1.0 2.0
   33    39    46    57   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    50   0.15000  1.0 3.0
   33    39    48    51   0.15000  1.0 3.0
   37    33    39    67   0.56750  1.0 1.0
   37    33    39    67  -0.07550 -1.0 2.0
   37    33    39    67   0.20000  1.0 3.0
   37    33   -39    46   0.56750  1.0 1.0
   37    33   -39    46  -0.07550 -1.0 2.0
   37    33   -39    46   0.20000  1.0 3.0
   37    33    39    48   0.56750  1.0 1.0
   37    33    39    48  -0.07550 -1.0 2.0
   37    33    39    48   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    55    56   0.15000  1.0 3.0
   37    44    55    60   0.56750  1.0 1.0
   37    44    55    60  -0.07550 -1.0 2.0
   37    44    55    60   0.20000  1.0 3.0
   37    44    55    65   0.56750  1.0 1.0
   37    44    55    65  -0.07550 -1.0 2.0
   37    44    55    65   0.20000  1.0 3.0
   37    44   -46    39   0.56750  1.0 1.0
   37    44   -46    39  -0.07550 -1.0 2.0
   37    44   -46    39   0.20000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    57   0.56750  1.0 1.0
   37    44    46    57  -0.07550 -1.0 2.0
   37    44    46    57   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    55   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    52    53   0.00000  1.0 1.0
   38    37    52    54   0.00000  1.0 1.0
   44    37    52    53   0.30150 -1.0 2.0
   44    37    52    54   0.74550  1.0 1.0
   44    37    52    54  -0.00500 -1.0 2.0
   44    55    60    61   0.15000  1.0 3.0
   44    55    60    62   0.15000  1.0 3.0
   44    55    60    67   0.56750  1.0 1.0
   44    55    60    67  -0.07550 -1.0 2.0
   44    55    60    67   0.20000  1.0 3.0
   44    55    65    66   0.15000  1.0 3.0
   44    55    65    70   0.56750  1.0 1.0
   44    55    65    70  -0.07550 -1.0 2.0
   44    55    65    70   0.20000  1.0 3.0
   44    55    65    74   0.56750  1.0 1.0
   44    55    65    74  -0.07550 -1.0 2.0
   44    55    65    74   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46    57    63   0.86500  1.0 1.0
   44    46    57    63  -0.17500 -1.0 2.0
   44    46    57    63   0.20800  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    60   0.15000  1.0 3.0
   45    44    55    65   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   55    44    46    39   0.56750  1.0 1.0
   55    44    46    39  -0.07550 -1.0 2.0
   55    44    46    39   0.20000  1.0 3.0
   55    44    46    47   0.15000  1.0 3.0
   55    44    46    57   0.56750  1.0 1.0
   55    44    46    57  -0.07550 -1.0 2.0
   55    44    46    57   0.20000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   55    60   -67    39   0.56750  1.0 1.0
   55    60   -67    39  -0.07550 -1.0 2.0
   55    60   -67    39   0.20000  1.0 3.0
   55    65    70    71   0.15000  1.0 3.0
   55    65    70    72   0.15000  1.0 3.0
   55    65    70    73   0.15000  1.0 3.0
   55    65    74    75   0.15000  1.0 3.0
   55    65    74    76   0.15000  1.0 3.0
   55    65    74    77   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    70   0.15000  1.0 3.0
   56    55    65    74   0.15000  1.0 3.0
   60    55    65    66   0.15000  1.0 3.0
   60    55    65    70   0.56750  1.0 1.0
   60    55    65    70  -0.07550 -1.0 2.0
   60    55    65    70   0.20000  1.0 3.0
   60    55    65    74   0.56750  1.0 1.0
   60    55    65    74  -0.07550 -1.0 2.0
   60    55    65    74   0.20000  1.0 3.0
   60    67    39    33   0.56750  1.0 1.0
   60    67    39    33  -0.07550 -1.0 2.0
   60    67    39    33   0.20000  1.0 3.0
   60    67    39    46   0.56750  1.0 1.0
   60    67    39    46  -0.07550 -1.0 2.0
   60    67    39    46   0.20000  1.0 3.0
   60    67    39    48   0.56750  1.0 1.0
   60    67    39    48  -0.07550 -1.0 2.0
   60    67    39    48   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    39   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    39   0.15000  1.0 3.0
   67    39   -46    44   0.56750  1.0 1.0
   67    39   -46    44  -0.07550 -1.0 2.0
   67    39   -46    44   0.20000  1.0 3.0
   67    39    46    47   0.15000  1.0 3.0
   67    39    46    57   0.56750  1.0 1.0
   67    39    46    57  -0.07550 -1.0 2.0
   67    39    46    57   0.20000  1.0 3.0
   67    39    48    49   0.15000  1.0 3.0
   67    39    48    50   0.15000  1.0 3.0
   67    39    48    51   0.15000  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    46   0.15000  1.0 3.0
   68    67    39    48   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    46   0.15000  1.0 3.0
   69    67    39    48   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    44   0.56750  1.0 1.0
   39    33   -37    44  -0.07550 -1.0 2.0
   39    33   -37    44   0.20000  1.0 3.0
   39    33    37    52  -0.95700  1.0 1.0
   39    33    37    52  -0.18200 -1.0 2.0
   39    33    37    52   0.29450  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    57    58   0.15000  1.0 3.0
   39    46    57    59   0.15000  1.0 3.0
   39    46    57    63   0.86500  1.0 1.0
   39    46    57    63  -0.17500 -1.0 2.0
   39    46    57    63   0.20800  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44   -55    60   0.56750  1.0 1.0
   46    44   -55    60  -0.07550 -1.0 2.0
   46    44   -55    60   0.20000  1.0 3.0
   46    44    55    65   0.56750  1.0 1.0
   46    44    55    65  -0.07550 -1.0 2.0
   46    44    55    65   0.20000  1.0 3.0
   46    39    48    49   0.15000  1.0 3.0
   46    39    48    50   0.15000  1.0 3.0
   46    39    48    51   0.15000  1.0 3.0
   46    57    63    64  -0.11600  1.0 1.0
   46    57    63    64  -0.09450 -1.0 2.0
   46    57    63    64   0.21250  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    63   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   59    57    63    64   0.19450  1.0 3.0
   48    39    46    44   0.56750  1.0 1.0
   48    39    46    44  -0.07550 -1.0 2.0
   48    39    46    44   0.20000  1.0 3.0
   48    39    46    47   0.15000  1.0 3.0
   48    39    46    57   0.56750  1.0 1.0
   48    39    46    57  -0.07550 -1.0 2.0
   48    39    46    57   0.20000  1.0 3.0
   65    55    60    61   0.15000  1.0 3.0
   65    55    60    62   0.15000  1.0 3.0
   65    55    60    67   0.56750  1.0 1.0
   65    55    60    67  -0.07550 -1.0 2.0
   65    55    60    67   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    77   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   52    37    44    45  -0.11250  1.0 3.0
   52    37    44    55  -0.95700  1.0 1.0
   52    37    44    55  -0.18200 -1.0 2.0
   52    37    44    55   0.29450  1.0 3.0
   52    37    44    46  -0.95700  1.0 1.0
   52    37    44    46  -0.18200 -1.0 2.0
   52    37    44    46   0.29450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    37    52  -0.95700  1.0 1.0
   40    33    37    52  -0.18200 -1.0 2.0
   40    33    37    52   0.29450  1.0 3.0
   40    33    39    67   0.56750  1.0 1.0
   40    33    39    67  -0.07550 -1.0 2.0
   40    33    39    67   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    48   0.56750  1.0 1.0
   40    33    39    48  -0.07550 -1.0 2.0
   40    33    39    48   0.20000  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
   37    54    52    53  10.50000 -1.0 2.0
END
