* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    243     439
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02032   103.96607   -36.46983
    3     1 S   H    _H1_     3     1.02062    69.76430    68.65120
    4     1 S   H    _H2_     4     1.02119    43.44844  -138.95745
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80967    98.50622   -78.13110
   34    33 S   HC   _H19    37     1.09433   109.06212   -39.05227
   35    33 S   HC   _H20    38     1.09499   109.19466    78.66571
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CM   _C17    39     1.48248   110.15333  -160.00537
   40    39 S   CM   _C16    40     1.34364   129.68090    90.31528
   41    40 S   OS   _O35    41     1.41122   114.49645  -178.36219
   42    40 S   OH   _O36    75     1.36655   124.79383     0.38052
   43    42 S   HO   _H21    76     0.96669   110.60284   179.98022
   44    41 S   CT   _C9_    42     1.42919   100.12844   -21.24216
   45    44 S   HC   _H6_    43     1.10399   107.18573   -81.38605
   46    39 S   CT   _C8_    44     1.48931   123.43088   -83.84308
   47    46 S   HC   _H5_    45     1.09983   106.15899    85.10667
   48    46 S   CT   _C7_    46     1.53258   122.80994   -40.63195
   49    48 S   HC   _H13    47     1.09738   109.35236   -52.86683
   50    48 S   HC   _H14    48     1.09612   110.53065    64.28973
   51    48 S   CT   _C6_    49     1.55883   110.93387  -172.97306
   52    51 S   HC   _H4_    50     1.09846   107.47939   165.79340
   53    51 S   C3T  _C11    51     1.50542   109.62312    46.63358
   54    51 S   CT   _C5_    67     1.52872   112.02468   -76.84805
   55    54 S   HC   _H3_    68     1.09229   109.07500    60.04391
   56    44 S   CT   _C10    52     1.52203   116.66721   156.07142
   57    56 S   HC   _H7_    53     1.09882   109.69604   -62.23721
   58    54 S   CT   _C4_    69     1.51796   111.61364   -61.54984
   59    58 S   HC   _H10    70     1.09478   111.44362   -58.83843
   60    58 S   HC   _H11    71     1.09542   110.08879  -179.42122
   61    58 S   HC   _H12    72     1.09520   111.28372    62.55416
   62    54 S   OH   _O37    73     1.42142   108.90305   177.43227
   63    62 S   HO   _H22    74     0.97135   106.75967  -179.97202
   64    56 S   CT   _C14    54     1.55244   118.96942    62.51538
   65    64 S   CT   _C13    55     1.56780   103.71346   149.24889
   66    65 S   Cl   Cl1_    56     1.78382   113.69078    87.27593
   67    65 S   HC   _H9_    57     1.09504   112.19068  -149.39907
   68    64 S   CT   _C15    61     1.52718   112.65523   -84.80572
   69    68 S   HC   _H15    62     1.08874   109.83827  -179.97202
   70    68 S   HC   _H16    63     1.08931   109.80998    59.97723
   71    68 S   HC   _H17    64     1.08880   109.81257   -59.96181
   72    64 S   OH   _O34    65     1.43309   109.75804    33.93941
   73    72 S   HO   _H18    66     0.96735   106.10108  -179.97202
   74    53 S   C3T  _C12    58     1.48793   127.84687   159.43509
   75    74 S   HC   _H8_    59     1.07671   122.80374    12.32048
   76    53 S   O3T  _O33    60     1.44487   112.18928    93.03024
  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  13   9  11   3   1  16   7  11   5  12
   5   4  17   8  15  10   6  14   6   5   3   2   1   1   1  12
  11   6   5   6   3   2   1   2   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    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    48    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    51    56    42    43  
   41    44    45    46    47    48    56    42    43  
   44    45    46    47    48    53    56    57    64    42    43  
   43    44    46  
    0  
   45    46    47    48    49    50    51    53    56    57    64    65    74    76    68    72  
   46    47    48    53    56    57    64  
   47    48    49    50    51    52    53    56    57    64    54  
   48    49    50    51    56  
   49    50    51    52    53    56    74    76    54    55    58    62  
   50    51    52    53    54  
   51    52    53    54  
   52    53    56    57    64    65    74    75    76    54    55    58    59    60    61    62    63  
   53    56    74    76    54    55    58    62  
   56    57    64    65    66    67    74    75    76    68    72    54    55    58    62  
   55    58    59    60    61    62    63    56    74    76  
   58    59    60    61    62    63  
   57    64    65    66    67    74    75    76    68    69    70    71    72    73  
   64    65    74    76    68    72  
   59    60    61    62    63  
   60    61    62  
   61    62  
   62  
   63  
    0  
   65    66    67    74    75    76    68    69    70    71    72    73  
   66    67    74    75    76    68    69    70    71    72    73  
   67    74    75    76    68    72  
   74    75    76    68    72  
   69    70    71    72    73    74  
   70    71    72  
   71    72  
   72  
   73    74  
    0  
   75    76  
   76  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   67   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    46   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   268.000  1.529
   44    56   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   275.000  1.510
   51    54   268.000  1.529
   53    56   275.000  1.510
   53    74   260.000  1.509
   53    76   335.000  1.432
   56    57   340.000  1.090
   56    64   268.000  1.529
   64    65   268.000  1.529
   64    68   268.000  1.529
   64    72   320.000  1.410
   65    66   245.000  1.781
   65    67   340.000  1.090
   65    74   275.000  1.510
   74    75   340.000  1.088
   74    76   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   553.000  0.945
   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    46    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    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    48    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    56    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    56    53    70.00000  112.37300
   44    56    57    37.50000  110.70000
   44    56    64    58.35000  112.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    70.00000  112.37300
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    53    74    60.00000  120.94000
   51    53    76    80.00000  116.47100
   51    54    55    37.50000  110.70000
   51    54    58    58.35000  112.70000
   51    54    62    50.00000  109.50000
   53    51    52    45.00000  109.38400
   53    56    57    45.00000  109.38400
   53    56    64    70.00000  112.37300
   53    74    65    60.00000  120.94000
   53    74    75    37.50000  117.20000
   53    74    76    15.00000   60.43100
   53    76    74    15.00000   59.14900
   56    44    45    37.50000  110.70000
   56    44    46    58.35000  112.70000
   56    64    65    58.35000  112.70000
   56    64    68    58.35000  112.70000
   56    64    72    50.00000  109.50000
   64    56    57    37.50000  110.70000
   64    65    66    69.00000  109.80000
   64    65    67    37.50000  110.70000
   64    65    74    70.00000  112.37300
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   64    72    73    55.00000  108.50000
   65    74    75    40.00000  115.04500
   65    74    76    80.00000  116.47100
   67    65    66    51.00000  107.60000
   74    53    56    60.00000  120.94000
   74    65    66    69.00000  109.80000
   74    65    67    45.00000  109.38400
   76    53    56    80.00000  116.47100
   76    53    74    15.00000   60.43100
   76    74    75    50.00000  114.27700
   68    64    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    65    50.00000  109.50000
   72    64    68    50.00000  109.50000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.37300
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    55.00000  108.50000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    58    50.00000  109.50000
   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    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   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    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    48   0.46850  1.0 1.0
   33    39    46    48   0.08550 -1.0 2.0
   33    39    46    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   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
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.15000  1.0 3.0
   39    46    48    51   0.34400  1.0 1.0
   39    46    48    51   0.09450 -1.0 2.0
   39    46    48    51   0.11100  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.09850  1.0 1.0
   40    39    46    48   0.15250 -1.0 2.0
   40    39    46    48  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    56  -0.46850  1.0 1.0
   40    41    44    56   0.09300 -1.0 2.0
   40    41    44    56  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    56    53  -0.26800  1.0 1.0
   41    44    56    53   0.69150 -1.0 2.0
   41    44    56    53  -0.48750  1.0 3.0
   41    44    56    57   0.23400  1.0 3.0
   41    44    56    64   0.62750  1.0 1.0
   41    44    56    64  -0.30950 -1.0 2.0
   41    44    56    64   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    51   0.56750  1.0 1.0
   44    46    48    51  -0.07550 -1.0 2.0
   44    46    48    51   0.20000  1.0 3.0
   44    56    64    65   0.56750  1.0 1.0
   44    56    64    65  -0.07550 -1.0 2.0
   44    56    64    65   0.20000  1.0 3.0
   44    56    64    68   0.56750  1.0 1.0
   44    56    64    68  -0.07550 -1.0 2.0
   44    56    64    68   0.20000  1.0 3.0
   44    56    64    72   0.86500  1.0 1.0
   44    56    64    72  -0.17500 -1.0 2.0
   44    56    64    72   0.20800  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    56    53   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    64   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    56    53   0.47050  1.0 1.0
   46    44    56    53   0.03900 -1.0 2.0
   46    44    56    53   0.20100  1.0 3.0
   46    44    56    57   0.15000  1.0 3.0
   46    44    56    64   0.56750  1.0 1.0
   46    44    56    64  -0.07550 -1.0 2.0
   46    44    56    64   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48   -51    53   0.47050  1.0 1.0
   46    48   -51    53   0.03900 -1.0 2.0
   46    48   -51    53   0.20100  1.0 3.0
   46    48    51    54   0.56750  1.0 1.0
   46    48    51    54  -0.07550 -1.0 2.0
   46    48    51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    53    56   0.56750  1.0 1.0
   48    51    53    56  -0.07550 -1.0 2.0
   48    51    53    56   0.20000  1.0 3.0
   48    51    53    74   0.07850  1.0 1.0
   48    51    53    74  -0.03950 -1.0 2.0
   48    51    53    74   0.67350  1.0 3.0
   48    51    53    76   0.02550  1.0 1.0
   48    51    53    76  -0.02600 -1.0 2.0
   48    51    53    76   1.20400  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    58   0.56750  1.0 1.0
   48    51    54    58  -0.07550 -1.0 2.0
   48    51    54    58   0.20000  1.0 3.0
   48    51    54    62   0.86500  1.0 1.0
   48    51    54    62  -0.17500 -1.0 2.0
   48    51    54    62   0.20800  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    53   -56    44   0.56750  1.0 1.0
   51    53   -56    44  -0.07550 -1.0 2.0
   51    53   -56    44   0.20000  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    64   0.56750  1.0 1.0
   51    53    56    64  -0.07550 -1.0 2.0
   51    53    56    64   0.20000  1.0 3.0
   51    53    74    65   0.56750  1.0 1.0
   51    53    74    65  -0.07550 -1.0 2.0
   51    53    74    65   0.20000  1.0 3.0
   51    53    74    75   0.15000  1.0 3.0
   51    53   -74    76   0.02550  1.0 1.0
   51    53   -74    76  -0.02600 -1.0 2.0
   51    53   -74    76   1.20400  1.0 3.0
   51    53   -76    74   0.06250  1.0 1.0
   51    53   -76    74  -0.01100 -1.0 2.0
   51    53   -76    74   0.28050  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  1.0 3.0
   51    54    62    63  -0.11600  1.0 1.0
   51    54    62    63  -0.09450 -1.0 2.0
   51    54    62    63   0.21250  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    74   0.15000  1.0 3.0
   52    51    53    76   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   52    51    54    62   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    58   0.47050  1.0 1.0
   53    51    54    58   0.03900 -1.0 2.0
   53    51    54    58   0.20100  1.0 3.0
   53    51    54    62   0.86500  1.0 1.0
   53    51    54    62  -0.17500 -1.0 2.0
   53    51    54    62   0.20800  1.0 3.0
   53    56   -64    65   0.47050  1.0 1.0
   53    56   -64    65   0.03900 -1.0 2.0
   53    56   -64    65   0.20100  1.0 3.0
   53    56    64    68   0.47050  1.0 1.0
   53    56    64    68   0.03900 -1.0 2.0
   53    56    64    68   0.20100  1.0 3.0
   53    56    64    72   0.86500  1.0 1.0
   53    56    64    72  -0.17500 -1.0 2.0
   53    56    64    72   0.20800  1.0 3.0
   56    44    46    39   0.34400  1.0 1.0
   56    44    46    39   0.09450 -1.0 2.0
   56    44    46    39   0.11100  1.0 3.0
   56    44    46    47   0.15000  1.0 3.0
   56    44   -46    48   0.56750  1.0 1.0
   56    44   -46    48  -0.07550 -1.0 2.0
   56    44   -46    48   0.20000  1.0 3.0
   56    53   -74    65   0.56750  1.0 1.0
   56    53   -74    65  -0.07550 -1.0 2.0
   56    53   -74    65   0.20000  1.0 3.0
   56    53    74    75   0.15000  1.0 3.0
   56    53   -74    76   0.02550  1.0 1.0
   56    53   -74    76  -0.02600 -1.0 2.0
   56    53   -74    76   1.20400  1.0 3.0
   56    53   -76    74   0.06250  1.0 1.0
   56    53   -76    74  -0.01100 -1.0 2.0
   56    53   -76    74   0.28050  1.0 3.0
   56    64    65    66   0.35600  1.0 1.0
   56    64    65    66  -0.14650 -1.0 2.0
   56    64    65    66   0.33350  1.0 3.0
   56    64    65    67   0.15000  1.0 3.0
   56    64   -65    74   0.47050  1.0 1.0
   56    64   -65    74   0.03900 -1.0 2.0
   56    64   -65    74   0.20100  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64    68    70   0.15000  1.0 3.0
   56    64    68    71   0.15000  1.0 3.0
   56    64    72    73  -0.11600  1.0 1.0
   56    64    72    73  -0.09450 -1.0 2.0
   56    64    72    73   0.21250  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   57    56    64    72   0.23400  1.0 3.0
   64    65   -74    53   0.07850  1.0 1.0
   64    65   -74    53  -0.03950 -1.0 2.0
   64    65   -74    53   0.67350  1.0 3.0
   64    65    74    75   0.15000  1.0 3.0
   64    65    74    76   0.02550  1.0 1.0
   64    65    74    76  -0.02600 -1.0 2.0
   64    65    74    76   1.20400  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    72    73  -0.11600  1.0 1.0
   65    64    72    73  -0.09450 -1.0 2.0
   65    64    72    73   0.21250  1.0 3.0
   65    74   -76    53   0.06250  1.0 1.0
   65    74   -76    53  -0.01100 -1.0 2.0
   65    74   -76    53   0.28050  1.0 3.0
   66    65    74    53   0.35600  1.0 1.0
   66    65    74    53  -0.14650 -1.0 2.0
   66    65    74    53   0.33350  1.0 3.0
   66    65    74    75   0.27000  1.0 3.0
   66    65    74    76   0.56750  1.0 1.0
   66    65    74    76  -0.07550 -1.0 2.0
   66    65    74    76   0.20000  1.0 3.0
   67    65    74    53   0.15000  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    76   0.23400  1.0 3.0
   74    53    56    44   0.07850  1.0 1.0
   74    53    56    44  -0.03950 -1.0 2.0
   74    53    56    44   0.67350  1.0 3.0
   74    53    56    57   0.15000  1.0 3.0
   74    53   -56    64   0.07850  1.0 1.0
   74    53   -56    64  -0.03950 -1.0 2.0
   74    53   -56    64   0.67350  1.0 3.0
   75    74   -76    53   0.36800  1.0 3.0
   76    53    56    44   0.02550  1.0 1.0
   76    53    56    44  -0.02600 -1.0 2.0
   76    53    56    44   1.20400  1.0 3.0
   76    53    56    57   0.23400  1.0 3.0
   76    53   -56    64   0.02550  1.0 1.0
   76    53   -56    64  -0.02600 -1.0 2.0
   76    53   -56    64   1.20400  1.0 3.0
   76    53   -74    65   0.02550  1.0 1.0
   76    53   -74    65  -0.02600 -1.0 2.0
   76    53   -74    65   1.20400  1.0 3.0
   76    53   -74    75   0.23400  1.0 3.0
   68    64    65    66   0.35600  1.0 1.0
   68    64    65    66  -0.14650 -1.0 2.0
   68    64    65    66   0.33350  1.0 3.0
   68    64    65    67   0.15000  1.0 3.0
   68    64    65    74   0.47050  1.0 1.0
   68    64    65    74   0.03900 -1.0 2.0
   68    64    65    74   0.20100  1.0 3.0
   68    64    72    73  -0.11600  1.0 1.0
   68    64    72    73  -0.09450 -1.0 2.0
   68    64    72    73   0.21250  1.0 3.0
   72    64    65    66   0.56750  1.0 1.0
   72    64    65    66  -0.07550 -1.0 2.0
   72    64    65    66   0.20000  1.0 3.0
   72    64    65    67   0.23400  1.0 3.0
   72    64    65    74   0.86500  1.0 1.0
   72    64    65    74  -0.17500 -1.0 2.0
   72    64    65    74   0.20800  1.0 3.0
   72    64    68    69   0.23400  1.0 3.0
   72    64    68    70   0.23400  1.0 3.0
   72    64    68    71   0.23400  1.0 3.0
   54    51    53    56   0.56750  1.0 1.0
   54    51    53    56  -0.07550 -1.0 2.0
   54    51    53    56   0.20000  1.0 3.0
   54    51    53    74   0.07850  1.0 1.0
   54    51    53    74  -0.03950 -1.0 2.0
   54    51    53    74   0.67350  1.0 3.0
   54    51    53    76   0.02550  1.0 1.0
   54    51    53    76  -0.02600 -1.0 2.0
   54    51    53    76   1.20400  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   58    54    62    63  -0.11600  1.0 1.0
   58    54    62    63  -0.09450 -1.0 2.0
   58    54    62    63   0.21250  1.0 3.0
   62    54    58    59   0.23400  1.0 3.0
   62    54    58    60   0.23400  1.0 3.0
   62    54    58    61   0.23400  1.0 3.0
   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    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
