* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    248     464
    1     0 S   NP   _N1_     1    28.76161    96.48314   -19.83429
    2     1 S   H    _HN1     2     1.02789    77.89374   -77.85197
    3     1 S   H    _H1_     3     1.02954    86.27911    31.73758
    4     1 S   H    _H2_     4     1.02847    44.66777   150.68687
    5     1 S   CT   _CA1     5     1.50091   154.85655   165.24142
    6     5 S   HC   _HA1     6     1.09563   105.29437    48.39918
    7     5 S   CO3  _C1_     7     1.53827   112.41464   -72.03432
    8     7 S   O2Z  _O11     8     1.26425   115.14335   -43.40648
    9     7 S   O2Z  _O12     9     1.26201   115.03933   135.93143
   10     5 S   CT   _CB1    10     1.53110   107.49068   166.52811
   11    10 S   HC   HB11    11     1.09818   109.67444   -48.88662
   12    10 S   HC   HB12    12     1.09829   110.22743    67.73554
   13    10 S   CT   _CG1    13     1.53032   112.59801  -169.93807
   14    13 S   HC   HG11    14     1.09587   110.37627   -57.78162
   15    13 S   HC   HG12    15     1.09619   110.15073    61.44332
   16    13 S   C    _CD1    16     1.51780   112.21258  -177.99748
   17    16 S   O    _OE1    17     1.22716   123.23377    -9.17603
   18    16 S   N    _N2_    18     1.38612   111.60360   170.67869
   19    18 S   H    _HN2    19     1.01586   119.04060     3.17644
   20    18 S   CT1  _CA2    20     1.46279   123.41442  -174.91319
   21    20 S   HC   _HA2    21     1.09723   109.42420   -13.56857
   22    20 S   C    _C2_    22     1.53332   108.43648  -129.56184
   23    22 S   O    _O2_    23     1.23006   122.26561  -145.28997
   24    20 S   CT   _CB2    32     1.53512   110.97574   108.33953
   25    24 S   HC   HB21    33     1.09584   109.41861    56.12807
   26    24 S   HC   HB22    34     1.09500   110.72935   174.93411
   27    22 S   N    _N3_    24     1.38517   113.32272    42.04302
   28    27 S   H    _HN3    25     1.01529   118.91890    -0.47642
   29    24 S   S    _SG2    35     1.82951   111.49963   -65.19666
   30    27 S   CT   _CA3    26     1.45446   123.39296   175.13256
   31    30 S   HC   HA31    27     1.09527   109.17951    25.48658
   32    30 S   HC   HA32    28     1.09494   107.13478   142.48160
   33    29 S   CT   _C10    36     1.84019    99.88408   153.08305
   34    33 S   HC   _H3_    37     1.09702   106.43702   -48.24192
   35    30 S   CO3  _C3_    29     1.52929   113.15825   -97.94964
   36    35 S   O2Z  _O31    30     1.26399   115.42263   -44.07300
   37    35 S   O2Z  _O32    31     1.26358   114.97051   136.87050
   38    33 S   CA   _C9_    38     1.51739   111.39800    71.20178
   39    33 S   CT   _C11    50     1.53918   108.06440  -163.41134
   40    39 S   HC   _H13    51     1.09433   111.21556   -66.43063
   41    39 S   HC   _H14    52     1.09808   109.89834    52.11207
   42    38 S   CA   _C4_    39     1.40484   119.51811  -112.68205
   43    42 S   HA   _H9_    40     1.08758   120.37254    -0.18452
   44    39 S   CO4  _C12    53     1.52332   112.54466   169.68487
   45    44 S   O    _O33    54     1.22950   122.70946   -23.73344
   46    42 S   CA   _C5_    41     1.39576   120.82330   179.97202
   47    46 S   HA   _H10    42     1.08621   119.85460   179.91607
   48    44 S   CM   _C13    55     1.49309   116.85182   159.94243
   49    46 S   CA   _C6_    43     1.39047   119.62225    -0.01978
   50    48 S   CM   _C14    56     1.34129   118.57962   119.75569
   51    49 S   CA   _C7_    44     1.39158   120.68912    -0.07913
   52    51 S   HA   _H11    45     1.08599   121.01784  -179.95577
   53    49 S   OH   _O43    48     1.36605   118.22380   179.95154
   54    53 S   HO   _H22    49     0.97239   108.54193  -179.84298
   55    50 S   CO4  _C15    57     1.49494   121.19391   177.25690
   56    55 S   O    _O34    58     1.23239   118.83108  -171.54151
   57    50 S   OS1  _O37    65     1.38465   122.96903     1.78070
   58    38 S   CA   _C8_    46     1.40485   122.00567    67.12726
   59    58 S   HA   _H12    47     1.08732   120.59868    -0.14402
   60    55 S   CMA  _C16    59     1.51420   119.21531     8.75347
   61    60 S   OM   _O36    60     1.26252   115.46645   173.49612
   62    57 S   CO1  _C19    66     1.44377   112.87999   -88.33081
   63    62 S   HC   _H4_    67     1.09726   107.71748    74.09345
   64    60 S   CM   _C17    61     1.34316   115.89324    -7.12161
   65    64 S   HC   _H15    62     1.08807   119.87299  -178.95620
   66    62 S   CT   _C20    68     1.53503   106.81364  -167.81121
   67    66 S   HC   _H5_    69     1.09690   109.71590    53.44958
   68    48 S   CO4  _C18    63     1.47533   121.19929   -59.97402
   69    68 S   O    _O35    64     1.22658   122.08587    -4.38776
   70    66 S   CT   _C21    70     1.53153   111.72197   175.43520
   71    70 S   HC   _H6_    71     1.09605   110.18338    75.05885
   72    66 S   OH5  _O42    86     1.42995   109.92336   -62.98268
   73    72 S   HO   _H21    87     0.97247   108.15814   -63.29286
   74    70 S   CT   _C22    72     1.53173   111.53686   -47.79661
   75    74 S   HC   _H7_    73     1.09704   109.05196   -71.48871
   76    70 S   OH5  _O41    84     1.43022   109.42134  -169.20679
   77    76 S   HO   _H20    85     0.97225   108.09793    61.93572
   78    74 S   CT   _C23    74     1.53132   110.50566    49.62968
   79    78 S   HC   _H8_    75     1.09815   111.11408    63.26854
   80    74 S   OH5  _O40    82     1.42547   109.75863   171.65797
   81    80 S   HO   _H19    83     0.97646   107.94656   -60.00086
   82    62 S   OS1  _O38    76     1.42954   112.87271   -47.04987
   83    78 S   CT   _C24    77     1.52911   111.71365  -175.66388
   84    83 S   HC   _H16    78     1.09510   110.97876    69.38339
   85    83 S   HC   _H17    79     1.09388   111.63397   -53.09706
   86    83 S   OH5  _O39    80     1.42547   108.97155  -172.00898
   87    86 S   HO   _H18    81     0.97233   106.99962  -175.45916
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  10
   6  12   5   3   2   1   8   4  10   1   1   5   3  13   6   3
   2  12   7   1   1  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    58    59    39    40    41    44  
   40    41    44    45    48    50    68    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    58    59    53  
   46    47    49    58  
   45    48    50    55    64    68    69    57  
   48    50    68  
   47    49    51    52    58    53    54  
   49    51    53  
   50    55    56    60    64    65    68    69    57    62  
   51    52    58    59    53    54  
   55    56    60    61    64    68    69    57    62    63    66    82  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    60    61    64    65    68    57    62  
   60    61    64    57  
   62    63    66    67    70    78    82    72    60    68  
   59  
    0  
   61    64    65    68    69  
   64    65    68  
   63    66    67    70    71    74    78    79    82    83    76    72    73  
   66    67    70    78    82    72  
   65    68    69  
   68    69  
   67    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   69  
    0  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   320.000  1.462
   48    50   549.000  1.340
   48    68   320.000  1.462
   50    55   320.000  1.462
   50    57   440.000  1.360
   55    56   570.000  1.229
   55    60   270.000  1.476
   60    61   745.000  1.250
   60    64   465.000  1.376
   64    65   340.000  1.080
   64    68   320.000  1.462
   68    69   570.000  1.229
   57    62   370.000  1.399
   62    63   360.000  1.097
   62    66   255.000  1.525
   62    82   370.000  1.399
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  118.62400
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    65.00000  118.96000
   44    48    68    65.00000  115.30000
   48    44    45    80.00000  123.72100
   48    50    55    65.00000  118.96000
   48    50    57    80.00000  120.01400
   48    68    64    65.00000  118.65900
   48    68    69    80.00000  123.72100
   50    55    56    80.00000  123.72100
   50    55    60    65.00000  118.65900
   50    57    62    90.00000  111.18400
   55    60    61    85.00000  116.28000
   55    60    64    65.00000  114.61000
   60    55    56    80.00000  120.81000
   60    64    65    40.00000  120.50800
   60    64    68    60.00000  125.92000
   64    60    61    65.00000  137.10300
   64    68    69    80.00000  123.72100
   68    48    50    65.00000  118.96000
   68    64    65    40.00000  117.72500
   57    50    55    85.00000  116.28000
   57    62    63    60.00000  105.75400
   57    62    66    90.00000  109.70700
   57    62    82   110.00000  113.16000
   62    66    67    45.00000  109.54000
   62    66    70    70.00000  111.10000
   62    66    72    90.00000  109.42000
   62    82    78    90.00000  112.10700
   66    62    63    45.00000  111.65000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    62    63    60.00000  105.75400
   82    62    66    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.65300  1.0 1.0
   33    39    44    48  -0.03850 -1.0 2.0
   33    39    44    48   0.33900  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    51   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    58   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -58    38   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    58    38   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50  -0.33500  1.0 1.0
   39    44    48    50   1.06600 -1.0 2.0
   39    44    48    50  -0.14000  1.0 3.0
   39    44    48    68   1.50000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    55   7.00000 -1.0 2.0
   44    48    50    57   7.00000 -1.0 2.0
   44    48    68    64   1.50000 -1.0 2.0
   44    48    68    69   2.50000 -1.0 2.0
   45    44    48    50   1.00000 -1.0 2.0
   45    44    48    68   2.50000 -1.0 2.0
   48    50    55    56   1.00000 -1.0 2.0
   48    50    55    60  -1.18350  1.0 1.0
   48    50    55    60   1.45950 -1.0 2.0
   48    50    57    62  -2.26850  1.0 1.0
   48    50    57    62   3.39050 -1.0 2.0
   50    48    68    64  -1.18350  1.0 1.0
   50    48    68    64   1.45950 -1.0 2.0
   50    48    68    69   1.00000 -1.0 2.0
   50    55    60    61   1.50000 -1.0 2.0
   50    55   -60    64  -1.18350  1.0 1.0
   50    55   -60    64   1.45950 -1.0 2.0
   50    57    62    63   0.08050  1.0 3.0
   50    57    62    66  -0.46850  1.0 1.0
   50    57    62    66   0.09300 -1.0 2.0
   50    57    62    66  -0.12850  1.0 3.0
   50    57    62    82  -0.48150  1.0 1.0
   50    57    62    82   0.09250 -1.0 2.0
   50    57    62    82  -0.12850  1.0 3.0
   55    50    57    62   0.15100 -1.0 2.0
   55    60    64    65   7.00000 -1.0 2.0
   55    60    64    68   7.00000 -1.0 2.0
   56    55    60    61  -0.11900  1.0 1.0
   56    55    60    61   0.76850 -1.0 2.0
   56    55    60    61   0.14100  1.0 3.0
   56    55    60    64   1.00000 -1.0 2.0
   60    64   -68    48  -1.18350  1.0 1.0
   60    64   -68    48   1.45950 -1.0 2.0
   60    64    68    69   1.00000 -1.0 2.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    68   7.00000 -1.0 2.0
   65    64    68    48   0.93700 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   68    48   -50    55   7.00000 -1.0 2.0
   68    48    50    57   7.00000 -1.0 2.0
   57    50    55    56  -0.11900  1.0 1.0
   57    50    55    56   0.76850 -1.0 2.0
   57    50    55    56   0.14100  1.0 3.0
   57    50    55    60   1.50000 -1.0 2.0
   57    62    66    67   0.23400  1.0 3.0
   57    62    66    70   0.62750  1.0 1.0
   57    62    66    70  -0.30950 -1.0 2.0
   57    62    66    70   0.27300  1.0 3.0
   57    62    66    72   1.51850  1.0 1.0
   57    62    82    78  -0.70400  1.0 1.0
   57    62    82    78  -0.90350 -1.0 2.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.56750  1.0 1.0
   62    66    70    74  -0.07550 -1.0 2.0
   62    66    70    74   0.20000  1.0 3.0
   62    66    70    76  -0.47750  1.0 1.0
   62    66    72    73   0.29150  1.0 1.0
   62    66    72    73  -0.28350 -1.0 2.0
   62    66    72    73   0.43600  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    82    78   0.37050  1.0 3.0
   66    62    82    78   0.06250  1.0 1.0
   66    62    82    78  -0.01100 -1.0 2.0
   66    62    82    78   0.28050  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70   -74    78   0.56750  1.0 1.0
   66    70   -74    78  -0.07550 -1.0 2.0
   66    70   -74    78   0.20000  1.0 3.0
   66    70    74    80  -0.47750  1.0 1.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    62   0.06250  1.0 1.0
   74    78   -82    62  -0.01100 -1.0 2.0
   74    78   -82    62   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    62   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    62    66    67   0.23400  1.0 3.0
   82    62   -66    70   0.62750  1.0 1.0
   82    62   -66    70  -0.30950 -1.0 2.0
   82    62   -66    70   0.27300  1.0 3.0
   82    62    66    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    62   0.06250  1.0 1.0
   83    78    82    62  -0.01100 -1.0 2.0
   83    78    82    62   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
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
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    53    49    46   4.00000 -1.0 2.0
   58    52    51    49   1.10000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   44    68    48    50   1.10000 -1.0 2.0
   55    57    50    48   1.10000 -1.0 2.0
   50    60    55    56  10.50000 -1.0 2.0
   55    61    60    64   1.10000 -1.0 2.0
   68    65    64    60   1.10000 -1.0 2.0
   48    64    68    69  10.50000 -1.0 2.0
END
