* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    150    239     446
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02126    94.93410   -60.37683
    3     1 S   H    _H1_     3     1.02077    85.15575    48.00688
    4     1 S   H    _H2_     4     1.02061    33.75606  -177.04170
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C15    36     1.80030    98.79359   -78.14781
   34    33 S   HC   _H15    37     1.08657   110.11421   -60.40371
   35    33 S   HC   _H16    38     1.08684   110.25456    60.08621
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C12    39     1.50793   109.42823   179.98022
   40    39 S   CM   _C13    40     1.35040   122.34288    90.31490
   41    40 S   OS   _O33    41     1.37766   124.30485  -177.79309
   42    40 S   OH   _O34    81     1.38193   119.96739     1.24741
   43    42 S   HO   _H14    82     0.96229   109.67332   179.98022
   44    41 S   CT   _C14    42     1.43061   117.25130    -9.52859
   45    44 S   HC   _H12    43     1.09505   107.68415   -84.72049
   46    44 S   HC   _H13    44     1.09783   106.70028   161.74982
   47    44 S   CT   _C6_    45     1.54206   113.36290    39.65793
   48    47 S   CT   _C7_    46     1.54918   110.30393   178.93504
   49    48 S   HC   _H10    47     1.09970   110.45054   -49.33702
   50    48 S   HC   _H11    48     1.10165   109.33109  -163.67292
   51    39 S   CT   _C11    59     1.52581   116.09721   -87.04069
   52    51 S   HC   _H6_    60     1.09963   108.06147    38.83187
   53    47 S   CM   _C5_    76     1.51715   108.70431    62.25999
   54    53 S   HC   _H9_    77     1.08547   117.20166    -1.08697
   55    48 S   CT   _C8_    49     1.53678   115.38735    74.56780
   56    55 S   HC   _H3_    50     1.09523   110.63356   -70.27491
   57    53 S   CM   _C4_    78     1.33757   123.97453   178.96089
   58    57 S   HC   _H7_    79     1.08525   120.39403   179.98022
   59    57 S   HC   _H8_    80     1.08452   121.62329     0.04423
   60    55 S   CT   _C9_    51     1.52078   108.28765    52.98065
   61    60 S   HC   _H4_    52     1.10114   108.73241    60.79514
   62    55 S   OS   _O37    64     1.42523   106.57399   172.02346
   63    60 S   CM   _C17    53     1.48941   123.48599  -174.59869
   64    62 S   CO4  _C19    65     1.36316   116.00191    89.16386
   65    64 S   O    _O38    66     1.22360   125.52091    -0.01978
   66    63 S   CO4  _C16    54     1.48772   106.02390   154.65424
   67    66 S   O    _O36    55     1.21702   127.41859   163.79691
   68    63 S   CM   _C18    61     1.33321   132.42193   -22.65199
   69    68 S   HC   _H17    62     1.08487   120.73145    -3.02880
   70    68 S   HC   _H18    63     1.08404   120.80717   177.04779
   71    64 S   CM   _C20    67     1.49017   109.96294  -179.91153
   72    66 S   OS   _O35    56     1.37210   106.37853   -14.65012
   73    71 S   CM   _C21    68     1.34197   116.90425   179.89532
   74    73 S   HC   _H19    69     1.08555   120.80744  -179.51302
   75    73 S   HC   _H20    70     1.08392   122.70841     0.43924
   76    71 S   CT   _C22    71     1.49991   120.95104     0.91365
   77    76 S   HC   _H21    72     1.09534   111.63088   178.93983
   78    76 S   HC   _H22    73     1.09503   110.81102    58.76364
   79    60 S   CT   _C10    57     1.51854   110.15700   -60.53002
   80    79 S   HC   _H5_    58     1.10178   111.38991   -58.42617
   81    76 S   OH   _O39    74     1.42113   109.45443   -61.56939
   82    81 S   HO   _H23    75     0.97073   106.77880  -179.97202
  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   6   5   4   3
  10   4   3   2   1   1  14  10   9   3   1  13   5   4  17  15
   7   6  12   5   6   3  13   6   2   1   1  12   7   7   8   9
   3   7   3   4   1   1   8   2   6   2   1   4   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    79    51    52    42  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    44    47    48    60    72    79    80    51    52    53    42    43  
   41    44    45    46    47    79    51    52    42    43  
   44    45    46    47    48    51    53    42    43  
   43    44    51  
    0  
   45    46    47    48    49    50    55    79    51    52    53    54    57  
   46    47    48    51    53  
   47    48    51    53  
   48    49    50    55    56    60    72    79    80    51    52    62    53    54    57    58    59  
   49    50    55    56    60    61    63    79    51    52    62    64    53    54    57  
   50    55    56    60    51    62    53  
   55    56    60    51    62    53  
   52    53    54    57    55    60    61    63    66    72    79    80  
   53    60    72    79    80  
   54    57    58    59    55    79  
   57    58    59  
   56    60    61    63    66    72    79    80    68    62    64    65    71  
   60    61    63    79    62    64  
   58    59  
   59  
    0  
   61    63    66    67    72    79    80    68    69    70    62    64  
   63    66    72    79    80    68    62  
   64    65    71    73    76    63    79  
   66    67    72    79    80    68    69    70  
   65    71    73    74    75    76    77    78    81  
   71    73    76  
   67    72    79    80    68    69    70  
   72    79    68  
   69    70    72    79  
   70  
    0  
   73    74    75    76    77    78    81    82  
   79    80  
   74    75    76    77    78    81  
   75    76  
   76  
   77    78    81    82  
   78    81    82  
   81    82  
   80  
    0  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    51   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    53   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    79   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    51   268.000  1.529
   51    52   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   320.000  1.462
   71    73   549.000  1.340
   71    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    59   340.000  1.080
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    51    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    51    47    70.00000  112.02700
   39    51    79    70.00000  112.02700
   39    51    52    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    51    58.35000  112.70000
   44    47    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    55    58.35000  112.70000
   47    51    79    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    53    54    35.00000  117.00000
   47    53    57    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    60    58.35000  112.70000
   48    55    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    70.00000  112.02700
   55    60    79    58.35000  112.70000
   55    62    64    83.00000  116.90000
   60    55    56    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    79    72    50.00000  109.50000
   60    79    80    37.50000  110.70000
   60    79    51    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    72    79    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    79    80    35.00000  109.50000
   72    79    51    50.00000  109.50000
   79    60    61    37.50000  110.70000
   79    60    63    70.00000  112.02700
   79    51    52    37.50000  110.70000
   51    39    40    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    79    80    37.50000  110.70000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    90.00000  111.29400
   64    71    73    65.00000  118.96000
   64    71    76    65.00000  116.34900
   71    64    65    80.00000  123.72100
   71    73    74    35.00000  120.00000
   71    73    75    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    81    90.00000  110.39200
   75    73    74    35.00000  117.00000
   76    71    73    70.00000  124.00000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   53    47    48    70.00000  112.02700
   53    47    51    70.00000  112.02700
   53    57    58    35.00000  120.00000
   53    57    59    35.00000  120.00000
   57    53    54    35.00000  120.00000
   59    57    58    35.00000  117.00000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    51   0.30250  1.0 1.0
   29    33    39    51  -0.14950 -1.0 2.0
   29    33    39    51   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    51    47   0.46850  1.0 1.0
   33    39    51    47   0.08550 -1.0 2.0
   33    39    51    47   0.09800  1.0 3.0
   33    39    51    79   0.46850  1.0 1.0
   33    39    51    79   0.08550 -1.0 2.0
   33    39    51    79   0.09800  1.0 3.0
   33    39    51    52   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.34800  1.0 3.0
   39    40    41    44  -2.26850  1.0 1.0
   39    40    41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39    51    47   0.09850  1.0 1.0
   40    39    51    47   0.15250 -1.0 2.0
   40    39    51    47  -0.50650  1.0 3.0
   40    39    51    79   0.09850  1.0 1.0
   40    39    51    79   0.15250 -1.0 2.0
   40    39    51    79  -0.50650  1.0 3.0
   40    39    51    52   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41   -44    47  -0.46850  1.0 1.0
   40    41   -44    47   0.09300 -1.0 2.0
   40    41   -44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    47    48   0.62750  1.0 1.0
   41    44    47    48  -0.30950 -1.0 2.0
   41    44    47    48   0.27300  1.0 3.0
   41    44    47    51   0.62750  1.0 1.0
   41    44    47    51  -0.30950 -1.0 2.0
   41    44    47    51   0.27300  1.0 3.0
   41    44    47    53   0.61850  1.0 1.0
   41    44    47    53  -0.22750 -1.0 2.0
   41    44    47    53   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    55   0.56750  1.0 1.0
   44    47    48    55  -0.07550 -1.0 2.0
   44    47    48    55   0.20000  1.0 3.0
   44    47   -51    39   0.34400  1.0 1.0
   44    47   -51    39   0.09450 -1.0 2.0
   44    47   -51    39   0.11100  1.0 3.0
   44    47    51    79   0.56750  1.0 1.0
   44    47    51    79  -0.07550 -1.0 2.0
   44    47    51    79   0.20000  1.0 3.0
   44    47    51    52   0.15000  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    57   0.09850  1.0 1.0
   44    47    53    57   0.15250 -1.0 2.0
   44    47    53    57  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   46    44    47    53   0.15000  1.0 3.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    60   0.56750  1.0 1.0
   47    48    55    60  -0.07550 -1.0 2.0
   47    48    55    60   0.20000  1.0 3.0
   47    48    55    62   0.62750  1.0 1.0
   47    48    55    62  -0.30950 -1.0 2.0
   47    48    55    62   0.27300  1.0 3.0
   47    53    57    58   7.00000 -1.0 2.0
   47    53    57    59   7.00000 -1.0 2.0
   48    47    51    39   0.34400  1.0 1.0
   48    47    51    39   0.09450 -1.0 2.0
   48    47    51    39   0.11100  1.0 3.0
   48    47    51    79   0.56750  1.0 1.0
   48    47    51    79  -0.07550 -1.0 2.0
   48    47    51    79   0.20000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    57   0.09850  1.0 1.0
   48    47    53    57   0.15250 -1.0 2.0
   48    47    53    57  -0.50650  1.0 3.0
   48    55    60    61   0.15000  1.0 3.0
   48    55    60    63   0.34400  1.0 1.0
   48    55    60    63   0.09450 -1.0 2.0
   48    55    60    63   0.11100  1.0 3.0
   48    55   -60    79   0.56750  1.0 1.0
   48    55   -60    79  -0.07550 -1.0 2.0
   48    55   -60    79   0.20000  1.0 3.0
   48    55    62    64  -0.25900  1.0 1.0
   48    55    62    64  -0.47000 -1.0 2.0
   48    55    62    64   0.11750  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    60   0.15000  1.0 3.0
   49    48    55    62   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    60   0.15000  1.0 3.0
   50    48    55    62   0.23400  1.0 3.0
   55    60    63    66   0.09700  1.0 1.0
   55    60    63    66   0.15600 -1.0 2.0
   55    60    63    66  -0.50800  1.0 3.0
   55    60    63    68   0.09850  1.0 1.0
   55    60    63    68   0.15250 -1.0 2.0
   55    60    63    68  -0.50650  1.0 3.0
   55    60    79    72   0.62750  1.0 1.0
   55    60    79    72  -0.30950 -1.0 2.0
   55    60    79    72   0.27300  1.0 3.0
   55    60    79    80   0.15000  1.0 3.0
   55    60    79    51   0.56750  1.0 1.0
   55    60    79    51  -0.07550 -1.0 2.0
   55    60    79    51   0.20000  1.0 3.0
   55    62    64    65   3.00000 -1.0 2.0
   55    62    64    71   2.00000 -1.0 2.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    79   0.15000  1.0 3.0
   56    55    62    64   0.08050  1.0 3.0
   60    55    62    64  -0.25900  1.0 1.0
   60    55    62    64  -0.47000 -1.0 2.0
   60    55    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    72  -0.15000  1.0 1.0
   60    63   -66    72   0.89550 -1.0 2.0
   60    63   -66    72  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    79    51    39   0.34400  1.0 1.0
   60    79    51    39   0.09450 -1.0 2.0
   60    79    51    39   0.11100  1.0 3.0
   60    79   -51    47   0.56750  1.0 1.0
   60    79   -51    47  -0.07550 -1.0 2.0
   60    79   -51    47   0.20000  1.0 3.0
   60    79    51    52   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    79    72   0.23400  1.0 3.0
   61    60    79    80   0.15000  1.0 3.0
   61    60    79    51   0.15000  1.0 3.0
   63    60   -79    72   0.61850  1.0 1.0
   63    60   -79    72  -0.22750 -1.0 2.0
   63    60   -79    72   0.15300  1.0 3.0
   63    60    79    80   0.15000  1.0 3.0
   63    60    79    51   0.34400  1.0 1.0
   63    60    79    51   0.09450 -1.0 2.0
   63    60    79    51   0.11100  1.0 3.0
   63    66   -72    79   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    72   -79    60  -0.25900  1.0 1.0
   66    72   -79    60  -0.47000 -1.0 2.0
   66    72   -79    60   0.11750  1.0 3.0
   66    72    79    80   0.08050  1.0 3.0
   66    72    79    51  -0.25900  1.0 1.0
   66    72    79    51  -0.47000 -1.0 2.0
   66    72    79    51   0.11750  1.0 3.0
   67    66    72    79   3.00000 -1.0 2.0
   72    79    51    39   0.61850  1.0 1.0
   72    79    51    39  -0.22750 -1.0 2.0
   72    79    51    39   0.15300  1.0 3.0
   72    79    51    47   0.62750  1.0 1.0
   72    79    51    47  -0.30950 -1.0 2.0
   72    79    51    47   0.27300  1.0 3.0
   72    79    51    52   0.23400  1.0 3.0
   79    60   -63    66   0.09700  1.0 1.0
   79    60   -63    66   0.15600 -1.0 2.0
   79    60   -63    66  -0.50800  1.0 3.0
   79    60    63    68   0.09850  1.0 1.0
   79    60    63    68   0.15250 -1.0 2.0
   79    60    63    68  -0.50650  1.0 3.0
   80    79    51    39   0.15000  1.0 3.0
   80    79    51    47   0.15000  1.0 3.0
   80    79    51    52   0.15000  1.0 3.0
   51    39   -40    41   7.00000 -1.0 2.0
   51    39    40    42   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47   -48    55   0.56750  1.0 1.0
   51    47   -48    55  -0.07550 -1.0 2.0
   51    47   -48    55   0.20000  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    57   0.09850  1.0 1.0
   51    47    53    57   0.15250 -1.0 2.0
   51    47    53    57  -0.50650  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    63   0.61850  1.0 1.0
   62    55    60    63  -0.22750 -1.0 2.0
   62    55    60    63   0.15300  1.0 3.0
   62    55    60    79   0.62750  1.0 1.0
   62    55    60    79  -0.30950 -1.0 2.0
   62    55    60    79   0.27300  1.0 3.0
   62    64    71    73  -0.56150  1.0 1.0
   62    64    71    73   2.19150 -1.0 2.0
   62    64    71    76  -0.15000  1.0 1.0
   62    64    71    76   0.89550 -1.0 2.0
   62    64    71    76  -0.06900  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   64    71    76    77   0.15000  1.0 3.0
   64    71    76    78   0.15000  1.0 3.0
   64    71    76    81   0.09700  1.0 1.0
   64    71    76    81   0.15600 -1.0 2.0
   64    71    76    81  -0.50800  1.0 3.0
   65    64    71    73   1.00000 -1.0 2.0
   65    64    71    76  -0.64400  1.0 1.0
   65    64    71    76   0.26850 -1.0 2.0
   71    76    81    82  -0.07800  1.0 1.0
   71    76    81    82  -0.21500 -1.0 2.0
   71    76    81    82  -0.03150  1.0 3.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   73    71    76    81   0.67800  1.0 1.0
   73    71    76    81   0.47050 -1.0 2.0
   73    71    76    81  -0.62500  1.0 3.0
   76    71    73    74   7.00000 -1.0 2.0
   76    71    73    75   7.00000 -1.0 2.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   53    47    48    49   0.15000  1.0 3.0
   53    47    48    50   0.15000  1.0 3.0
   53    47    48    55   0.34400  1.0 1.0
   53    47    48    55   0.09450 -1.0 2.0
   53    47    48    55   0.11100  1.0 3.0
   53    47    51    39   0.31000  1.0 1.0
   53    47    51    39   0.14700 -1.0 2.0
   53    47    51    39   0.07550  1.0 3.0
   53    47    51    79   0.34400  1.0 1.0
   53    47    51    79   0.09450 -1.0 2.0
   53    47    51    79   0.11100  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    59   7.00000 -1.0 2.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    51    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
   64    76    71    73  15.00000 -1.0 2.0
   74    75    73    71  15.00000 -1.0 2.0
   47    54    53    57  15.00000 -1.0 2.0
   58    59    57    53  15.00000 -1.0 2.0
END
