* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    216     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02074    61.53966  -108.17383
    3     1 S   H    _H1_     3     1.02070   106.25309    -5.40599
    4     1 S   H    _H2_     4     1.02075    50.78613    95.74103
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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     1.82263    98.15223  -178.15517
   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   _C15    37     1.49111   109.89776  -159.97805
   38    33 S   OS   _O36    76     1.42241   111.22777   -38.82151
   39    37 S   CM   _C16    38     1.34059   122.60054  -102.92205
   40    37 S   OS   _O35    71     1.38418   116.90434    78.21794
   41    38 S   CT   _C18    77     1.42094   111.50234   178.43740
   42    41 S   HC   _H17    78     1.09227   109.49302  -180.00000
   43    41 S   HC   _H18    79     1.09282   109.48594    59.22506
   44    41 S   HC   _H19    80     1.09226   109.01783   -60.41226
   45    39 S   CM   _C11    39     1.46613   122.25512     1.35552
   46    39 S   OH   _O34    69     1.38145   121.21978  -178.06104
   47    46 S   HO   _H13    70     0.96139   109.81366    -0.58551
   48    40 S   CT   _C17    72     1.40486   112.47586   -91.14329
   49    48 S   HC   _H14    73     1.09299   109.50292   180.00000
   50    48 S   HC   _H15    74     1.09315   109.56074    59.24535
   51    48 S   HC   _H16    75     1.09259   109.02226   -60.40430
   52    45 S   CM   _C12    40     1.35599   120.03839   -15.58555
   53    33 S   CO4  _C13    41     1.52526   107.73420    77.52957
   54    53 S   O    _O33    42     1.23279   120.29508   -78.64079
   55    52 S   CT   _C7_    43     1.52118   124.55219  -174.46413
   56    55 S   HC   _H3_    44     1.09846   106.68966  -116.71293
   57    55 S   CT   _C8_    45     1.53451   114.18150     2.17502
   58    57 S   HC   _H9_    46     1.09808   109.39511  -155.20486
   59    57 S   HC   _H10    47     1.09828   111.38584    88.29673
   60    55 S   CM   _C5_    61     1.50338   112.82241   125.02993
   61    57 S   CT   _C9_    48     1.51934   111.30723   -34.28493
   62    61 S   HC   _H11    49     1.09851   108.99685  -178.02513
   63    61 S   HC   _H12    50     1.09968   108.50688   -62.85405
   64    60 S   CM   _C6_    62     1.34161   121.89089   117.49872
   65    64 S   HC   _H7_    63     1.08522   121.32128  -180.00000
   66    64 S   HC   _H8_    64     1.08435   121.35460     0.11869
   67    60 S   CT   _C4_    65     1.49938   116.19232   -62.44968
   68    67 S   HC   _H4_    66     1.09525   110.32262   -90.03257
   69    67 S   HC   _H5_    67     1.09482   110.31274    29.87147
   70    67 S   HC   _H6_    68     1.09567   112.19081   149.93609
   71    45 S   CT   _C10    51     1.54462   119.24065   164.20779
   72    71 S   CM   _C20    52     1.51617   112.39337   -44.73692
   73    72 S   HC   _H23    53     1.08617   117.14275   120.02766
   74    71 S   CT   _C19    57     1.54378   109.90265    77.15577
   75    74 S   HC   _H20    58     1.08290   108.98647   180.00000
   76    74 S   HC   _H21    59     1.08371   108.93980    60.01484
   77    74 S   HC   _H22    60     1.08315   108.97399   -59.97887
   78    72 S   CM   _C21    54     1.33731   124.01180   -60.00876
   79    78 S   HC   _H24    55     1.08413   120.38892  -179.94405
   80    78 S   HC   _H25    56     1.08425   121.61041     0.00000
  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   9   5   4   3
  15   2   1   1  15   9  12   7   4   2   1   1  20   3   1   3
   2   1   1  14   6   1  16   7  11   6   5   8  10   4   3   6
   2   1   3   2   1   1   9   8   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    52    53    54    40    38    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    52    53    54    55    46    40    48    38    41    42    43    44  
   35    36  
   36  
    0  
   39    45    52    53    54    71    46    47    40    48    49    50    51    38    41  
   41    42    43    44    39    40    52    53    54  
   45    52    53    55    61    71    72    74    46    47    40    48  
   48    49    50    51    45    46    53  
   42    43    44    53  
   43    44  
   44  
    0  
   52    53    54    55    56    57    61    62    63    71    72    73    78    74    75    76    77    60    46    47  
   47    52    71  
    0  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    61    71    72    74    60    64    67  
   54    55    56    57    71    60  
   55  
   56    57    58    59    61    62    63    71    60    64    65    66    67    68    69    70  
   57    58    59    61    60    64    67  
   58    59    61    62    63    71    72    74    60    64    67  
   59    61    62    63    71    60  
   61    62    63    71    60  
   64    65    66    67    68    69    70    61  
   62    63    71    72    73    78    74    75    76    77  
   63    71    72    74  
   71    72    74  
   65    66    67    68    69    70  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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  -0.316400   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   0.465900   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   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   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
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   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    53   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   440.000  1.360
   39    45   380.000  1.444
   39    46   510.000  1.338
   45    52   549.000  1.340
   45    71   317.000  1.510
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   268.000  1.529
   71    72   317.000  1.510
   71    74   268.000  1.529
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    64   549.000  1.340
   60    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   553.000  0.945
   40    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   38    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    53    52    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    38    41    60.00000  109.50000
   37    39    45    70.00000  123.01800
   37    39    46    80.00000  121.38400
   37    40    48    90.00000  111.18400
   39    45    52    70.00000  123.01800
   39    45    71    70.00000  124.00000
   39    46    47    70.00000  107.45700
   45    52    53    65.00000  118.96000
   45    52    55    70.00000  124.00000
   45    71    61    70.00000  112.02700
   45    71    72    70.00000  110.12100
   45    71    74    70.00000  112.02700
   52    53    54    80.00000  123.72100
   52    55    56    35.00000  109.50000
   52    55    57    70.00000  112.02700
   52    55    60    70.00000  110.12100
   53    33    37    70.00000  109.06800
   55    52    53    65.00000  116.34900
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    60    64    70.00000  124.00000
   55    60    67    65.00000  117.92700
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    71    72    70.00000  112.02700
   61    71    74    58.35000  112.70000
   63    61    62    33.00000  107.80000
   71    45    52    70.00000  124.00000
   71    61    62    37.50000  110.70000
   71    61    63    37.50000  110.70000
   71    72    73    35.00000  117.00000
   71    72    78    70.00000  124.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   72    78    79    35.00000  120.00000
   72    78    80    35.00000  120.00000
   78    72    73    35.00000  120.00000
   80    78    79    35.00000  117.00000
   74    71    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    70.00000  112.02700
   60    64    65    35.00000  120.00000
   60    64    66    35.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    64    65    35.00000  117.00000
   67    60    64    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    39    45    80.00000  121.38400
   40    37    39    80.00000  120.01400
   40    48    49    35.00000  109.50000
   40    48    50    35.00000  109.50000
   40    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    53    90.00000  108.74100
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    53    52   0.65300  1.0 1.0
   29    33    53    52  -0.03850 -1.0 2.0
   29    33    53    52   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    41   0.14700  1.0 1.0
   29    33    38    41  -1.16150 -1.0 2.0
   29    33    38    41   0.48700  1.0 3.0
   33    37    39    45   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    40    48   2.00000 -1.0 2.0
   33    38    41    42   0.37050  1.0 3.0
   33    38    41    43   0.37050  1.0 3.0
   33    38    41    44   0.37050  1.0 3.0
   37    33    53    52   0.65300  1.0 1.0
   37    33    53    52  -0.03850 -1.0 2.0
   37    33    53    52   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    41  -0.77900  1.0 1.0
   37    33    38    41  -0.36900 -1.0 2.0
   37    33    38    41   0.40400  1.0 3.0
   37    39   -45    52   0.28850  1.0 1.0
   37    39   -45    52   2.61350 -1.0 2.0
   37    39   -45    52   0.78400  1.0 3.0
   37    39    45    71  -0.18600  1.0 3.0
   37    39    46    47  -0.66100  1.0 1.0
   37    39    46    47   1.20850 -1.0 2.0
   37    39    46    47  -0.36000  1.0 3.0
   37    40    48    49   0.08050  1.0 3.0
   37    40    48    50   0.08050  1.0 3.0
   37    40    48    51   0.08050  1.0 3.0
   39    37    40    48  -2.26850  1.0 1.0
   39    37    40    48   3.39050 -1.0 2.0
   39    45    52    53   7.00000 -1.0 2.0
   39    45    52    55   7.00000 -1.0 2.0
   39    45    71    61   0.98200  1.0 1.0
   39    45    71    61  -0.11900 -1.0 2.0
   39    45    71    61   0.24250  1.0 3.0
   39    45    71    72  -0.28300  1.0 1.0
   39    45    71    72   0.26700 -1.0 2.0
   39    45    71    72  -0.63300  1.0 3.0
   39    45    71    74   0.98200  1.0 1.0
   39    45    71    74  -0.11900 -1.0 2.0
   39    45    71    74   0.24250  1.0 3.0
   45    39    46    47  -0.66100  1.0 1.0
   45    39    46    47   1.20850 -1.0 2.0
   45    39    46    47  -0.36000  1.0 3.0
   45    52   -53    33  -0.33500  1.0 1.0
   45    52   -53    33   1.06600 -1.0 2.0
   45    52   -53    33  -0.14000  1.0 3.0
   45    52    53    54   1.00000 -1.0 2.0
   45    52    55    56   0.00000  1.0 1.0
   45    52    55    57   0.09850  1.0 1.0
   45    52    55    57   0.15250 -1.0 2.0
   45    52    55    57  -0.50650  1.0 3.0
   45    52    55    60  -0.28300  1.0 1.0
   45    52    55    60   0.26700 -1.0 2.0
   45    52    55    60  -0.63300  1.0 3.0
   45    71    72    73   0.00000  1.0 1.0
   45    71    72    78  -0.28300  1.0 1.0
   45    71    72    78   0.26700 -1.0 2.0
   45    71    72    78  -0.63300  1.0 3.0
   45    71    74    75   0.15000  1.0 3.0
   45    71    74    76   0.15000  1.0 3.0
   45    71    74    77   0.15000  1.0 3.0
   52    45    71    61   0.09850  1.0 1.0
   52    45    71    61   0.15250 -1.0 2.0
   52    45    71    61  -0.50650  1.0 3.0
   52    45    71    72  -0.28300  1.0 1.0
   52    45    71    72   0.26700 -1.0 2.0
   52    45    71    72  -0.63300  1.0 3.0
   52    45    71    74   0.09850  1.0 1.0
   52    45    71    74   0.15250 -1.0 2.0
   52    45    71    74  -0.50650  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55   -57    61   0.34400  1.0 1.0
   52    55   -57    61   0.09450 -1.0 2.0
   52    55   -57    61   0.11100  1.0 3.0
   52    55    60    64  -0.28300  1.0 1.0
   52    55    60    64   0.26700 -1.0 2.0
   52    55    60    64  -0.63300  1.0 3.0
   52    55    60    67   0.09700  1.0 1.0
   52    55    60    67   0.15600 -1.0 2.0
   52    55    60    67  -0.50800  1.0 3.0
   53    33   -37    39  -0.51250  1.0 1.0
   53    33   -37    39  -0.88800 -1.0 2.0
   53    33   -37    39   0.08850  1.0 3.0
   53    33    37    40   0.09700  1.0 1.0
   53    33    37    40   0.15600 -1.0 2.0
   53    33    37    40  -0.50800  1.0 3.0
   53    33    38    41  -1.11000  1.0 1.0
   53    33    38    41   0.50250 -1.0 2.0
   53    33    38    41   0.47450  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.09700  1.0 1.0
   53    52    55    57   0.15600 -1.0 2.0
   53    52    55    57  -0.50800  1.0 3.0
   53    52    55    60   0.09700  1.0 1.0
   53    52    55    60   0.15600 -1.0 2.0
   53    52    55    60  -0.50800  1.0 3.0
   55    52    53    33   0.25700  1.0 1.0
   55    52    53    33   0.66200 -1.0 2.0
   55    52    53    33   0.04450  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    57    61    62   0.15000  1.0 3.0
   55    57    61    63   0.15000  1.0 3.0
   55    57    61    71   0.56750  1.0 1.0
   55    57    61    71  -0.07550 -1.0 2.0
   55    57    61    71   0.20000  1.0 3.0
   55    60    64    65   7.00000 -1.0 2.0
   55    60    64    66   7.00000 -1.0 2.0
   55    60    67    68   0.34800  1.0 3.0
   55    60    67    69   0.34800  1.0 3.0
   55    60    67    70   0.34800  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    60    64   0.00000  1.0 1.0
   56    55    60    67   0.34800  1.0 3.0
   57    55    60    64   0.09850  1.0 1.0
   57    55    60    64   0.15250 -1.0 2.0
   57    55    60    64  -0.50650  1.0 3.0
   57    55    60    67   0.46850  1.0 1.0
   57    55    60    67   0.08550 -1.0 2.0
   57    55    60    67   0.09800  1.0 3.0
   57    61   -71    45   0.34400  1.0 1.0
   57    61   -71    45   0.09450 -1.0 2.0
   57    61   -71    45   0.11100  1.0 3.0
   57    61    71    72   0.34400  1.0 1.0
   57    61    71    72   0.09450 -1.0 2.0
   57    61    71    72   0.11100  1.0 3.0
   57    61    71    74   0.56750  1.0 1.0
   57    61    71    74  -0.07550 -1.0 2.0
   57    61    71    74   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    71   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    71   0.15000  1.0 3.0
   61    71    72    73   0.00000  1.0 1.0
   61    71    72    78   0.09850  1.0 1.0
   61    71    72    78   0.15250 -1.0 2.0
   61    71    72    78  -0.50650  1.0 3.0
   61    71    74    75   0.15000  1.0 3.0
   61    71    74    76   0.15000  1.0 3.0
   61    71    74    77   0.15000  1.0 3.0
   62    61    71    45   0.15000  1.0 3.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    74   0.15000  1.0 3.0
   63    61    71    45   0.15000  1.0 3.0
   63    61    71    72   0.15000  1.0 3.0
   63    61    71    74   0.15000  1.0 3.0
   71    45    52    53   7.00000 -1.0 2.0
   71    45   -52    55   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78   0.09850  1.0 1.0
   74    71    72    78   0.15250 -1.0 2.0
   74    71    72    78  -0.50650  1.0 3.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
   60    55    57    61   0.34400  1.0 1.0
   60    55    57    61   0.09450 -1.0 2.0
   60    55    57    61   0.11100  1.0 3.0
   64    60    67    68   0.00000  1.0 1.0
   64    60    67    69   0.00000  1.0 1.0
   64    60    67    70   0.00000  1.0 1.0
   67    60    64    65   7.00000 -1.0 2.0
   67    60    64    66   7.00000 -1.0 2.0
   46    39    45    52   0.50950  1.0 1.0
   46    39    45    52   0.56650 -1.0 2.0
   46    39    45    52   0.34050  1.0 3.0
   46    39    45    71   1.08500 -1.0 2.0
   40    37    39    45   7.00000 -1.0 2.0
   40    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    53    52   0.65300  1.0 1.0
   38    33    53    52  -0.03850 -1.0 2.0
   38    33    53    52   0.33900  1.0 3.0
   38    33    53    54   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    39   1.10000 -1.0 2.0
   45    46    39    37   1.10000 -1.0 2.0
   39    71    45    52   1.10000 -1.0 2.0
   53    55    52    45   1.10000 -1.0 2.0
   33    52    53    54  10.50000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   79    80    78    72  15.00000 -1.0 2.0
   55    67    60    64  15.00000 -1.0 2.0
   65    66    64    60  15.00000 -1.0 2.0
END
