* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    149    223     436
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02000    93.05096    35.23739
    3     1 S   H    _H1_     3     1.02088    33.20445   155.57545
    4     1 S   H    _H2_     4     1.02135    87.31481   -73.39802
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   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   CO4  _C23    36     1.76720   100.55030  -178.16059
   34    33 S   O    _O39    37     1.22466   122.47165     2.21514
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C22    38     1.51251   113.26711  -179.98022
   39    38 S   HC   _H19    39     1.09580   107.17796   -57.75496
   40    38 S   HC   _H20    40     1.09558   109.81657    60.75779
   41    38 S   CO4  _C21    41     1.51894   115.81842  -178.54223
   42    41 S   O    _O38    42     1.23025   122.07287   -33.70892
   43    41 S   CT   _C20    43     1.51746   115.59057   150.29920
   44    43 S   HC   _H17    44     1.09409   107.04572    59.98640
   45    43 S   HC   _H18    45     1.09518   108.54173   -57.85123
   46    43 S   CO4  _C19    46     1.51726   116.52763  -178.46049
   47    46 S   O    _O37    47     1.23032   122.39190  -118.74290
   48    46 S   CT   _C18    48     1.52042   115.55642    59.19477
   49    48 S   HC   _H15    49     1.09484   108.14577   -89.98954
   50    48 S   HC   _H16    50     1.09546   108.14418    27.56167
   51    48 S   CT   _C17    51     1.53834   112.76362   148.70123
   52    51 S   CM   _C12    52     1.52127   112.41807  -179.49642
   53    51 S   OH   _O40    83     1.43349   107.88465    62.67714
   54    53 S   HO   _H21    84     0.96705   106.08089    61.21464
   55    52 S   CMA  _C13    53     1.35776   125.87240   130.93130
   56    55 S   OM   _O41    54     1.26572   131.24659  -178.81982
   57    52 S   CO4  _C11    63     1.48119   116.63591   -50.78600
   58    57 S   O    _O35    64     1.22643   119.45463   -60.42656
   59    55 S   CT   _C14    55     1.52425   119.39705     2.81070
   60    59 S   HC   _H11    56     1.09228   110.62361   134.55387
   61    59 S   HC   _H12    57     1.09212   110.57056  -104.02927
   62    57 S   CT   _C10    65     1.52316   116.39473   121.60713
   63    62 S   HC   _H9_    66     1.09828   109.79931   -30.03603
   64    62 S   HC   _H10    67     1.09861   106.84204    84.58921
   65    59 S   CO4  _C15    58     1.51163   112.35287    15.06678
   66    65 S   O    _O36    59     1.22898   122.06307   138.54181
   67    62 S   CMA  _C9_    68     1.52714   111.78292  -153.66594
   68    67 S   OM   _O42    69     1.26390   111.49710   -86.01828
   69    51 S   CT   _C16    60     1.53520   107.72573   -53.71535
   70    69 S   HC   _H13    61     1.09603   111.27698    78.91523
   71    69 S   HC   _H14    62     1.09532   111.08589   -39.51585
   72    67 S   CM   _C8_    70     1.35134   116.17363    93.00267
   73    72 S   HC   _H8_    71     1.08778   120.42141     1.03967
   74    72 S   CO4  _C7_    72     1.49868   124.38889  -179.53818
   75    74 S   O    _O34    73     1.22903   122.01397     2.07264
   76    74 S   CT   _C6_    74     1.51592   115.54586   179.96574
   77    76 S   HC   _H6_    75     1.09548   109.39470    30.02849
   78    76 S   HC   _H7_    76     1.09553   107.02561   -88.24482
   79    76 S   CO4  _C5_    77     1.51594   115.89319   150.80379
   80    79 S   O    _O33    78     1.23022   122.85495    -4.31202
   81    79 S   CT   _C4_    79     1.50691   116.16286   177.85470
   82    81 S   HC   _H3_    80     1.09260   109.61711    89.98011
   83    81 S   HC   _H4_    81     1.09263   109.53896  -148.89781
   84    81 S   HC   _H5_    82     1.09372   109.72408   -29.42935
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   8   4  12
   5   4  14  17   7   1  10   5   9   4   7   4   3   7   4   3
   4   3   6   3   2   1   1   7   3   7   4   8   4   3   5   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    69    53  
   48    49    50    51  
   49    50    51    52    55    65    69    70    71    57    53    54  
   50    51    52    69    53  
   51    52    69    53  
   52    55    56    59    65    66    69    70    71    57    58    62    53    54  
   55    56    59    60    61    65    69    70    71    57    58    62    63    64    67    53    54  
   54    55    57    65    69    70    71  
   69  
   56    59    60    61    65    66    69    57    58    62  
   59    60    61    65    57  
   58    62    63    64    67    68    72    59    69  
   62    63    64    67  
   60    61    65    66    69    70    71  
   61    65    66    69  
   65    66    69  
   63    64    67    68    72    73    74  
   64    67    68    72  
   67    68    72  
   66    69    70    71  
   69    70    71  
   68    72    73    74    75    76  
   72    73    74  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76    77    78    79    80    81  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   317.000  1.510
   51    69   268.000  1.529
   51    53   320.000  1.410
   52    55   465.000  1.376
   52    57   320.000  1.462
   55    56   745.000  1.250
   55    59   270.000  1.512
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.522
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   270.000  1.512
   67    68   745.000  1.250
   67    72   465.000  1.376
   72    73   340.000  1.080
   72    74   320.000  1.462
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    63.00000  111.10000
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  112.02700
   48    51    69    58.35000  112.70000
   48    51    53    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    55    70.00000  124.00000
   51    52    57    65.00000  116.34900
   51    69    65    63.00000  111.10000
   51    69    70    37.50000  110.70000
   51    69    71    37.50000  110.70000
   51    53    54    55.00000  108.50000
   52    55    56    65.00000  137.10300
   52    55    59    65.00000  122.18000
   52    57    58    80.00000  123.72100
   52    57    62    65.00000  118.62400
   55    59    60    45.00000  110.52000
   55    59    61    45.00000  110.52000
   55    59    65    70.00000  109.06800
   59    55    56    85.00000  112.85300
   59    65    66    80.00000  120.40000
   59    65    69    70.00000  116.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   69    51    52    70.00000  112.02700
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   57    52    55    60.00000  125.92000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    67    70.00000  109.06800
   62    57    58    80.00000  120.40000
   62    67    68    85.00000  112.85300
   62    67    72    65.00000  122.18000
   64    62    63    33.00000  107.80000
   67    62    63    45.00000  110.52000
   67    62    64    45.00000  110.52000
   67    72    73    40.00000  120.50800
   67    72    74    60.00000  125.92000
   72    67    68    65.00000  137.10300
   72    74    75    80.00000  123.72100
   72    74    76    65.00000  118.62400
   74    72    73    40.00000  117.72500
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    75.00000  107.99600
   76    74    75    80.00000  120.40000
   76    79    80    80.00000  120.40000
   76    79    81    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   81    79    80    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   53    51    52    90.00000  110.39200
   53    51    69    50.00000  109.50000
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   0.00000  1.0 1.0
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.60050  1.0 1.0
   43    46    48    51   0.05600 -1.0 2.0
   43    46    48    51   0.26150  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.98800  1.0 1.0
   46    48    51    52   0.48800 -1.0 2.0
   46    48    51    52   0.76800  1.0 3.0
   46    48    51    69  -0.95700  1.0 1.0
   46    48    51    69  -0.18200 -1.0 2.0
   46    48    51    69   0.29450  1.0 3.0
   46    48    51    53  -0.09450  1.0 1.0
   46    48    51    53  -1.12950 -1.0 2.0
   46    48    51    53   0.54000  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    52    55   0.09850  1.0 1.0
   48    51    52    55   0.15250 -1.0 2.0
   48    51    52    55  -0.50650  1.0 3.0
   48    51    52    57   0.09700  1.0 1.0
   48    51    52    57   0.15600 -1.0 2.0
   48    51    52    57  -0.50800  1.0 3.0
   48    51    69    65  -0.95700  1.0 1.0
   48    51    69    65  -0.18200 -1.0 2.0
   48    51    69    65   0.29450  1.0 3.0
   48    51    69    70   0.15000  1.0 3.0
   48    51    69    71   0.15000  1.0 3.0
   48    51    53    54  -0.11600  1.0 1.0
   48    51    53    54  -0.09450 -1.0 2.0
   48    51    53    54   0.21250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    69   0.15000  1.0 3.0
   49    48    51    53   0.23400  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    69   0.15000  1.0 3.0
   50    48    51    53   0.23400  1.0 3.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    59   7.00000 -1.0 2.0
   51    52    57    58  -0.64400  1.0 1.0
   51    52    57    58   0.26850 -1.0 2.0
   51    52    57    62   0.25700  1.0 1.0
   51    52    57    62   0.66200 -1.0 2.0
   51    52    57    62   0.04450  1.0 3.0
   52    51    69    65  -0.98800  1.0 1.0
   52    51    69    65   0.48800 -1.0 2.0
   52    51    69    65   0.76800  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    53    54  -0.07800  1.0 1.0
   52    51    53    54  -0.21500 -1.0 2.0
   52    51    53    54  -0.03150  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    61   0.00000  1.0 1.0
   52    55   -59    65  -0.51250  1.0 1.0
   52    55   -59    65  -0.88800 -1.0 2.0
   52    55   -59    65   0.08850  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    67   0.65300  1.0 1.0
   52    57    62    67  -0.03850 -1.0 2.0
   52    57    62    67   0.33900  1.0 3.0
   55    52    57    58   1.00000 -1.0 2.0
   55    52    57    62  -0.33500  1.0 1.0
   55    52    57    62   1.06600 -1.0 2.0
   55    52    57    62  -0.14000  1.0 3.0
   55    59    65    66   0.30150 -1.0 2.0
   55    59    65    69   0.65300  1.0 1.0
   55    59    65    69  -0.03850 -1.0 2.0
   55    59    65    69   0.33900  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    65   0.09700  1.0 1.0
   56    55    59    65   0.15600 -1.0 2.0
   56    55    59    65  -0.50800  1.0 3.0
   59    65   -69    51   0.60050  1.0 1.0
   59    65   -69    51   0.05600 -1.0 2.0
   59    65   -69    51   0.26150  1.0 3.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    71   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    69   0.00000  1.0 1.0
   66    65    69    51   0.30150 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   69    51   -52    55   0.09850  1.0 1.0
   69    51   -52    55   0.15250 -1.0 2.0
   69    51   -52    55  -0.50650  1.0 3.0
   69    51    52    57   0.09700  1.0 1.0
   69    51    52    57   0.15600 -1.0 2.0
   69    51    52    57  -0.50800  1.0 3.0
   69    51    53    54  -0.11600  1.0 1.0
   69    51    53    54  -0.09450 -1.0 2.0
   69    51    53    54   0.21250  1.0 3.0
   57    52    55    56   7.00000 -1.0 2.0
   57    52    55    59   7.00000 -1.0 2.0
   57    62    67    68   0.09700  1.0 1.0
   57    62    67    68   0.15600 -1.0 2.0
   57    62    67    68  -0.50800  1.0 3.0
   57    62    67    72  -0.51250  1.0 1.0
   57    62    67    72  -0.88800 -1.0 2.0
   57    62    67    72   0.08850  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    62    67   0.30150 -1.0 2.0
   62    67    72    73   7.00000 -1.0 2.0
   62    67    72    74   7.00000 -1.0 2.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    72   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    72   0.00000  1.0 1.0
   67    72    74    75   1.00000 -1.0 2.0
   67    72    74    76  -0.33500  1.0 1.0
   67    72    74    76   1.06600 -1.0 2.0
   67    72    74    76  -0.14000  1.0 3.0
   68    67    72    73   7.00000 -1.0 2.0
   68    67    72    74   7.00000 -1.0 2.0
   72    74    76    77   0.00000  1.0 1.0
   72    74    76    78   0.00000  1.0 1.0
   72    74    76    79   0.65300  1.0 1.0
   72    74    76    79  -0.03850 -1.0 2.0
   72    74    76    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.04550  1.0 1.0
   73    72    74    76   0.83000 -1.0 2.0
   73    72    74    76  -0.04000  1.0 3.0
   74    76    79    80   0.30150 -1.0 2.0
   74    76    79    81   0.65300  1.0 1.0
   74    76    79    81  -0.03850 -1.0 2.0
   74    76    79    81   0.33900  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.30150 -1.0 2.0
   76    79    81    82   0.00000  1.0 1.0
   76    79    81    83   0.00000  1.0 1.0
   76    79    81    84   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    84   0.00000  1.0 1.0
   53    51    52    55   0.67800  1.0 1.0
   53    51    52    55   0.47050 -1.0 2.0
   53    51    52    55  -0.62500  1.0 3.0
   53    51    52    57   0.09700  1.0 1.0
   53    51    52    57   0.15600 -1.0 2.0
   53    51    52    57  -0.50800  1.0 3.0
   53    51    69    65  -0.09450  1.0 1.0
   53    51    69    65  -1.12950 -1.0 2.0
   53    51    69    65   0.54000  1.0 3.0
   53    51    69    70   0.23400  1.0 3.0
   53    51    69    71   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   51    57    52    55   1.10000 -1.0 2.0
   59    56    55    52   1.10000 -1.0 2.0
   59    69    65    66  10.50000 -1.0 2.0
   52    62    57    58  10.50000 -1.0 2.0
   62    68    67    72  15.00000 -1.0 2.0
   74    73    72    67  15.00000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   76    81    79    80  10.50000 -1.0 2.0
END
