* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    163    260     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02128    64.19530  -104.52419
    3     1 S   H    _H1_     3     1.02041   105.71932    -1.04978
    4     1 S   H    _H2_     4     1.02103    48.26950   100.24297
    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   _C10    36     1.82124    98.19211   161.83520
   34    33 S   HC   _H6_    37     1.09164   105.04224   -61.23382
   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   CM   _C6_    38     1.51191   111.87440  -179.97202
   39    38 S   CT   _C7_    39     1.51845   116.88292  -105.06416
   40    39 S   HC   _H3_    40     1.06434   107.66750   150.75870
   41    38 S   CMA  _C5_    81     1.34397   121.84352    76.46200
   42    41 S   OM   _O36    82     1.27119   124.42395    -1.59102
   43    39 S   CT   _C8_    41     1.54258   108.61678    30.69415
   44    43 S   HC   _H4_    42     1.10762   107.16434    61.17746
   45    39 S   CT   _C13    53     1.53601   110.22363   -94.38288
   46    45 S   HC   _H15    54     1.09496   109.33474    80.03006
   47    45 S   HC   _H16    55     1.09546   109.35622   -37.30126
   48    41 S   OS   _O33    83     1.42277   109.96397   178.50747
   49    43 S   CO   _C9_    43     1.54545   111.44504   -56.14872
   50    49 S   HC   _H5_    44     1.11149   108.94836   -90.55855
   51    43 S   CM   _C11    48     1.50079   112.58695   177.74363
   52    51 S   HC   _H12    49     1.08660   117.18319    92.91122
   53    45 S   CT   _C14    56     1.52192   111.89648  -158.63457
   54    53 S   HC   _H7_    57     1.09688   110.83697   -43.44382
   55    48 S   CT   _C4_    84     1.42711   116.09536  -179.98022
   56    55 S   HC   _H8_    85     1.09204   109.46658   179.98022
   57    55 S   HC   _H9_    86     1.09310   109.48974    59.17043
   58    55 S   HC   _H10    87     1.09172   108.94916   -60.41490
   59    33 S   OS   _O34    45     1.43185   113.96557    52.72880
   60    49 S   OH   _O35    46     1.42701   110.91422   153.81522
   61    60 S   HO   _H11    47     0.96934   106.50481  -179.97202
   62    51 S   CM   _C12    50     1.33700   124.05358   -87.02992
   63    62 S   HC   _H13    51     1.08486   120.45400   179.98022
   64    62 S   HC   _H14    52     1.08461   121.57231    -0.02798
   65    53 S   C5A  _C15    58     1.48539   112.19370    78.70882
   66    65 S   C5B  _C16    59     1.46210   123.83465   106.41652
   67    65 S   NA   _N4_    70     1.28704   124.79913   -73.07911
   68    67 S   H    _H21    71     1.01727   128.01452    -0.58651
   69    66 S   C56B _C17    60     1.44441   105.15454   179.89721
   70    66 S   CT   _C23    72     1.47217   122.06917     5.64028
   71    70 S   HC   _H22    73     1.09615   110.76478    99.32393
   72    70 S   HC   _H23    74     1.09758   109.12014  -142.89003
   73    69 S   CA   _C18    61     1.37745   134.39569  -179.02201
   74    73 S   HA   _H17    62     1.08386   121.83535    -0.26980
   75    70 S   CT   _C24    75     1.53104   110.78924   -22.14100
   76    75 S   HC   _H24    76     1.09667   112.46156   167.36665
   77    75 S   HC   _H25    77     1.09559   111.11149   -70.13957
   78    73 S   CA   _C19    63     1.39949   117.35881   179.81443
   79    78 S   HA   _H18    64     1.08652   119.51716   179.88986
   80    53 S   NP   _N5_    78     1.51717   109.23626  -160.50156
   81    80 S   H    _H26    79     1.03462   108.82948   157.52828
   82    80 S   H    _H27    80     1.03561   109.57578    43.42518
   83    78 S   CA   _C20    65     1.41208   121.22352    -0.19483
   84    83 S   HA   _H19    66     1.08769   119.25224   179.87805
   85    83 S   CA   _C21    67     1.39741   121.20429     0.02798
   86    85 S   HA   _H20    68     1.08336   120.96017   180.00000
   87    69 S   C56A _C22    69     1.40935   104.59320     0.51738
  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   7   5   4   3
  13   5   2   1   1  15  20   9   9   2  15   8  13   5   4   4
   7   4   6   3  14   7   3   2   1   1   2   1   1   2   1   1
  14  15   9   3  12  10   5   4   7   4   5   4   3   6   3   2
   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    59    60    45    41    42    48  
   38    39    49    59    41  
   36    37  
   37  
    0  
   39    40    43    44    49    59    51    45    46    47    53    41    42    48    55  
   40    43    44    49    50    59    60    51    52    62    45    46    47    53    54    65    80    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    55    56    57    58    43    45    59  
   48    55  
   44    49    50    59    60    61    51    52    62    63    64    45    46    47    53  
   49    50    59    60    51    52    62    45  
   46    47    53    54    65    66    67    75    80    81    82    49    51  
   47    53    54    65    80  
   53    54    65    80  
   55    56    57    58  
   50    59    60    61    51    52    62  
   59    60    61    51  
   52    62    63    64    59    60  
   62    63    64  
   54    65    66    69    87    67    68    70    75    76    77    80    81    82  
   65    66    67    75    80    81    82  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64  
   64  
    0  
   66    69    73    85    87    67    68    70    71    72    75    80    81    82  
   69    73    74    78    85    87    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    83    85    86    87  
   69    85    87  
   73    74    78    79    83    85    86    87    70    71    72    75  
   71    72    75    76    77    80    81    82    73    87  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    83    84    85    87  
   78    79    83    87  
   76    77    80    81    82  
   77    80    81    82  
   80    81    82  
   79    83    84    85    86    87  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    59   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    59   320.000  1.380
   49    60   380.000  1.407
   60    61   553.000  0.945
   51    52   340.000  1.080
   51    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    65   295.000  1.489
   53    80   367.000  1.471
   65    66   520.000  1.370
   65    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    87   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    82   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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    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    38    75.00000  112.20000
   29    33    59    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    59    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    59    90.00000  108.56700
   43    49    60    90.00000  110.19100
   43    51    52    35.00000  117.00000
   43    51    62    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    60    61    70.00000  107.92000
   59    33    34    35.00000  109.50000
   59    33    38    85.00000  110.90400
   59    49    50    35.00000  109.50000
   60    49    50    60.00000  108.02500
   60    49    59   110.00000  112.08000
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    62    63    35.00000  120.00000
   51    62    64    35.00000  120.00000
   62    51    52    35.00000  120.00000
   64    62    63    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    65    70.00000  113.44400
   45    53    80    80.00000  111.20000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    65    66    55.00000  130.44200
   53    65    67    65.00000  122.56900
   53    80    75    75.00000  113.01200
   53    80    81    35.00000  109.50000
   53    80    82    35.00000  109.50000
   65    53    54    45.00000  110.47400
   65    66    69    80.00000  105.82900
   65    66    70    55.00000  127.77900
   65    67    87    90.00000  107.14200
   65    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    87    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    87    85    85.00000  122.70000
   69    87    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    83    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    83    84    35.00000  120.00000
   78    83    85    63.00000  120.00000
   83    78    79    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    67    70.00000  132.80000
   87    69    73    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    67    68    35.00000  123.10000
   67    65    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   80    53    54    35.00000  109.50000
   80    53    65    75.00000  111.64000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   82    80    81    35.00000  109.50000
   41    38    39    70.00000  124.00000
   41    48    55    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49  -0.77900  1.0 1.0
   38    33    59    49  -0.36900 -1.0 2.0
   38    33    59    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53   0.34400  1.0 1.0
   38    39    45    53   0.09450 -1.0 2.0
   38    39    45    53   0.11100  1.0 3.0
   38    41    48    55  -2.26850  1.0 1.0
   38    41    48    55   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    59   0.62750  1.0 1.0
   39    43    49    59  -0.30950 -1.0 2.0
   39    43    49    59   0.27300  1.0 3.0
   39    43    49    60   0.86500  1.0 1.0
   39    43    49    60  -0.17500 -1.0 2.0
   39    43    49    60   0.20800  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    62   0.09850  1.0 1.0
   39    43    51    62   0.15250 -1.0 2.0
   39    43    51    62  -0.50650  1.0 3.0
   39    45    53    54   0.15000  1.0 3.0
   39    45    53    65  -0.03700  1.0 1.0
   39    45    53    65   0.37200 -1.0 2.0
   39    45    53    65  -0.47300  1.0 3.0
   39    45    53    80   1.36600  1.0 1.0
   39    45    53    80  -0.11450 -1.0 2.0
   39    45    53    80   0.24250  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53   0.15000  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53   0.56750  1.0 1.0
   43    39    45    53  -0.07550 -1.0 2.0
   43    39    45    53   0.20000  1.0 3.0
   43    49   -59    33   0.06250  1.0 1.0
   43    49   -59    33  -0.01100 -1.0 2.0
   43    49   -59    33   0.28050  1.0 3.0
   43    49    60    61  -0.11600  1.0 1.0
   43    49    60    61  -0.09450 -1.0 2.0
   43    49    60    61   0.21250  1.0 3.0
   43    51    62    63   7.00000 -1.0 2.0
   43    51    62    64   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    62   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    62   0.09850  1.0 1.0
   49    43    51    62   0.15250 -1.0 2.0
   49    43    51    62  -0.50650  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   59    33   -38    39   0.09700  1.0 1.0
   59    33   -38    39   0.15600 -1.0 2.0
   59    33   -38    39  -0.50800  1.0 3.0
   59    33    38    41   0.39000  1.0 1.0
   59    33    38    41  -0.05800 -1.0 2.0
   59    33    38    41  -0.55150  1.0 3.0
   59    49    60    61  -0.50000  1.0 1.0
   59    49    60    61  -0.73950 -1.0 2.0
   59    49    60    61   0.17150  1.0 3.0
   60    49    59    33  -0.81800  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    59   0.61850  1.0 1.0
   51    43    49    59  -0.22750 -1.0 2.0
   51    43    49    59   0.15300  1.0 3.0
   51    43    49    60   1.05650  1.0 1.0
   51    43    49    60   0.15600 -1.0 2.0
   51    43    49    60   0.53150  1.0 3.0
   52    51    62    63   7.00000 -1.0 2.0
   52    51    62    64   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   45    53    65    66   0.04150 -1.0 2.0
   45    53    65    67   0.39850  1.0 1.0
   45    53    65    67   0.06450 -1.0 2.0
   45    53    65    67   0.32400  1.0 3.0
   45    53    80    75   0.47100  1.0 1.0
   45    53    80    81   0.17350  1.0 3.0
   45    53    80    82   0.17350  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    65   0.43200  1.0 3.0
   46    45    53    80   0.19200  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    65   0.43200  1.0 3.0
   47    45    53    80   0.19200  1.0 3.0
   53    65    66    69   3.62500 -1.0 2.0
   53    65    66    70   3.62500 -1.0 2.0
   53    65    67    87   3.62500 -1.0 2.0
   53    65    67    68   2.00000 -1.0 2.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   54    53    80    75   0.15000  1.0 3.0
   54    53    80    81   0.13050  1.0 3.0
   54    53    80    82   0.13050  1.0 3.0
   65    53    80    75   0.03550  1.0 1.0
   65    53    80    75   0.09800 -1.0 2.0
   65    53    80    81   0.17350  1.0 3.0
   65    53    80    82   0.17350  1.0 3.0
   65    66    69    73   3.62500 -1.0 2.0
   65    66   -69    87   3.50000 -1.0 2.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    75   0.04150 -1.0 2.0
   66    65   -67    87   3.62500 -1.0 2.0
   66    65    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    87    85   3.00000 -1.0 2.0
   66    69   -87    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   1.24050  1.0 1.0
   66    70    75    80   0.48100 -1.0 2.0
   66    70    75    80   1.08150  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    83   3.62500 -1.0 2.0
   69    87   -67    65   3.62500 -1.0 2.0
   69    87    67    68   1.52500 -1.0 2.0
   73    69    87    85   3.00000 -1.0 2.0
   73    69    87    67   3.00000 -1.0 2.0
   73    78    83    84   3.62500 -1.0 2.0
   73    78   -83    85   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    83   3.62500 -1.0 2.0
   78    83    85    86   3.62500 -1.0 2.0
   78    83    85    87   3.62500 -1.0 2.0
   79    78    83    84   3.62500 -1.0 2.0
   79    78    83    85   3.62500 -1.0 2.0
   83    85   -87    69   3.62500 -1.0 2.0
   83    85    87    67   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    67    65   3.62500 -1.0 2.0
   85    87    67    68   1.52500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    67   3.62500 -1.0 2.0
   87    69    73    74   3.50000 -1.0 2.0
   87    69   -73    78   3.50000 -1.0 2.0
   67    65   -66    69   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    87   3.62500 -1.0 2.0
   70    75   -80    53   0.47100  1.0 1.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    82   0.17350  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   76    75    80    53   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   77    75    80    53   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    82   0.13050  1.0 3.0
   80    53   -65    66  -0.46400 -1.0 2.0
   80    53    65    67   0.04300 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    55    56   0.08050  1.0 3.0
   41    48    55    57   0.08050  1.0 3.0
   41    48    55    58   0.08050  1.0 3.0
   42    41    48    55   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   43    52    51    62  15.00000 -1.0 2.0
   63    64    62    51  15.00000 -1.0 2.0
   66    67    65    53   4.00000 -1.0 2.0
   69    70    66    65   4.00000 -1.0 2.0
   73    87    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   83    79    78    73   1.10000 -1.0 2.0
   85    84    83    78   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    67    87    69   4.00000 -1.0 2.0
   68    65    67    87   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
