* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    143    236     426
    1     0 S   NP   _N1_     1    28.12113    96.29961   -23.89576
    2     1 S   H    _HN1     2     1.02957    80.73810    -5.15936
    3     1 S   H    _H1_     3     1.02836    28.34056   153.00160
    4     1 S   H    _H2_     4     1.02777   107.48360  -111.58513
    5     1 S   CT   _CA1     5     1.50129   131.77213   103.97967
    6     5 S   HC   _HA1     6     1.09576   105.20695    81.69699
    7     5 S   CO3  _C1_     7     1.53772   112.35491   -38.47212
    8     7 S   O2Z  _O11     8     1.26363   114.99724   -44.18770
    9     7 S   O2Z  _O12     9     1.26234   114.92544   134.87761
   10     5 S   CT   _CB1    10     1.53093   107.42140  -160.42162
   11    10 S   HC   HB11    11     1.09828   109.29075   -50.65221
   12    10 S   HC   HB12    12     1.09815   110.44651    65.88827
   13    10 S   CT   _CG1    13     1.53027   112.69074  -171.72690
   14    13 S   HC   HG11    14     1.09596   110.50623   -65.04902
   15    13 S   HC   HG12    15     1.09659   109.90536    54.15471
   16    13 S   C    _CD1    16     1.51848   112.29158   174.49836
   17    16 S   O    _OE1    17     1.22755   123.27465     1.24553
   18    16 S   N    _N2_    18     1.38529   111.72688  -178.70185
   19    18 S   H    _HN2    19     1.01565   119.10969     3.88701
   20    18 S   CT1  _CA2    20     1.45896   122.91202   177.75432
   21    20 S   HC   _HA2    21     1.09724   108.92790    25.00911
   22    20 S   C    _C2_    22     1.52918   106.81177   -92.08855
   23    22 S   O    _O2_    23     1.23001   122.99495   -28.39600
   24    20 S   CT   _CB2    32     1.53209   112.12635   148.27151
   25    24 S   HC   HB21    33     1.09463   109.70302    54.73573
   26    24 S   HC   HB22    34     1.09448   109.91062   173.38218
   27    22 S   N    _N3_    24     1.38495   112.66663   154.14723
   28    27 S   H    _HN3    25     1.01664   120.36637    -1.19812
   29    24 S   S    _SG2    35     1.82854   110.70373   -66.69713
   30    27 S   CT   _CA3    26     1.45358   122.37530   178.77923
   31    30 S   HC   HA31    27     1.09569   107.57098   -60.98223
   32    30 S   HC   HA32    28     1.09571   107.81278    55.30065
   33    29 S   CT   _C21    36     1.91041   101.11101   166.91726
   34    30 S   CO3  _C3_    29     1.52872   114.45745   177.25455
   35    34 S   O2Z  _O31    30     1.26318   116.11479    -0.59938
   36    34 S   O2Z  _O32    31     1.26458   114.38580   179.44574
   37    33 S   CO4  _C22    37     1.55606   107.99938   175.81432
   38    37 S   O    _O37    38     1.23813   120.72325     8.33357
   39    33 S   CT   _C20    70     1.55413   110.64188    54.06817
   40    39 S   OM   _O39    71     1.32482   113.00634    58.66343
   41    39 S   HC   _H4_    72     1.10056   106.93847   -74.38563
   42    33 S   C    _C23    73     1.55413   104.37110   -65.85753
   43    42 S   O    _O38    74     1.23065   123.64193   118.06558
   44    37 S   CT   _C16    39     1.57334   117.07644  -176.17495
   45    44 S   OM   _O40    40     1.33381   106.71799   158.34119
   46    42 S   N    _N4_    75     1.37739   114.94508   -60.90370
   47    46 S   H    _H13    76     1.01516   121.78583    -4.86772
   48    46 S   H    _H14    77     1.01287   120.70724  -178.83332
   49    44 S   CMA  _C15    41     1.58289   111.02959   -83.48907
   50    49 S   OM   _O35    42     1.27195   112.51117   -46.79983
   51    49 S   CM   _C7_    43     1.36306   118.83935   131.33369
   52    51 S   CM   _C6_    44     1.45629   125.15926     3.41191
   53    52 S   CM   _C5_    45     1.35444   121.26388  -161.25628
   54    52 S   CT   _C18    63     1.50849   114.07705    20.10377
   55    54 S   HC   _H11    64     1.09787   109.21328    70.54975
   56    54 S   HC   _H12    65     1.09479   112.52630  -172.22756
   57    53 S   CA   _C10    46     1.49974   119.42991     8.02360
   58    53 S   CT   _C4_    59     1.50638   121.19814  -168.52613
   59    58 S   HC   _H5_    60     1.09385   111.21287   -91.71999
   60    58 S   HC   _H6_    61     1.09527   111.92974    28.96019
   61    58 S   HC   _H7_    62     1.09516   111.50063   145.17493
   62    44 S   CT   _C17    66     1.56434   110.70078    44.36255
   63    62 S   HC   _H3_    67     1.10329   110.41065    80.20346
   64    57 S   CA   _C9_    47     1.41587   117.93006   -24.41161
   65    62 S   CO4  _C19    68     1.54237   115.19315   -36.38611
   66    65 S   O    _O36    69     1.23712   121.42516  -142.11287
   67    51 S   CO4  _C8_    48     1.50110   119.59545   179.41885
   68    67 S   O    _O34    49     1.22452   124.39721   -33.77228
   69    64 S   CA   _C14    50     1.40679   121.41876  -174.46902
   70    69 S   CA   _C13    51     1.38706   120.46069    -2.02100
   71    70 S   HA   _H9_    52     1.08629   120.68020  -179.52030
   72    69 S   OH   _O33    57     1.36928   123.60569   179.24050
   73    72 S   HO   _H10    58     0.97441   108.84635    -2.96346
   74    70 S   CA   _C12    53     1.38780   119.34185    -1.62979
   75    74 S   HA   _H8_    54     1.08811   118.60332  -177.06648
   76    57 S   CA   _C11    55     1.41524   125.50095   156.00252
   77    76 S   Cl   Cl1_    56     1.73431   124.16816    -9.68371
  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  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  12  16  15   9   4   3  14   5   2   1   1   3   2  10
   1   1   5   1   7   7   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    65    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    62    65    66    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    54    62    63    65    39    40    41    42    43    46  
   44    45    49    62    39    42  
   40    41    42    43    46    44    54    62    63    65    66  
   41    42    62    65    66  
   42    62    65    66  
   43    46    47    48    44    65  
   46    47    48  
   45    49    50    51    52    67    54    55    56    62    63    65    66  
   49    50    51    54    62    63    65  
   47    48  
   48  
    0  
   50    51    52    53    64    67    68    54    62    63    65  
   51    52    67    62  
   52    53    57    64    67    68    69    58    54    55    56    62  
   53    57    64    67    68    76    58    59    60    61    54    55    56    62    63    65  
   57    64    67    69    74    76    77    58    59    60    61    54    55    56    62  
   55    56    62    63    65    66    57    58    67  
   56    62    63    65  
   62    63    65  
   64    67    68    69    70    74    75    76    77    72    58    59    60    61  
   59    60    61    64    76  
   60    61  
   61  
    0  
   63    65    66  
   65    66  
   67    68    69    70    71    74    76    77    72    73  
   66  
    0  
   68    69    70    76    72  
   69  
   70    71    74    75    76    72    73  
   71    74    75    76    77    72    73  
   74    75    76    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   270.000  1.512
   44    62   268.000  1.529
   49    50   745.000  1.250
   49    51   465.000  1.376
   51    52   380.000  1.444
   51    67   320.000  1.462
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    57   320.000  1.460
   53    58   317.000  1.510
   57    64   469.000  1.400
   57    76   469.000  1.400
   64    67   310.000  1.470
   64    69   469.000  1.400
   67    68   570.000  1.229
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   72    73   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    65    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    70.00000  109.06800
   37    44    62    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    85.00000  112.85300
   44    49    51    65.00000  122.18000
   44    62    54    58.35000  112.70000
   44    62    63    37.50000  110.70000
   44    62    65    63.00000  111.10000
   49    44    45    85.00000  110.90400
   49    51    52    70.00000  117.34000
   49    51    67    60.00000  125.92000
   51    49    50    65.00000  137.10300
   51    52    53    70.00000  123.01800
   51    52    54    70.00000  124.00000
   51    67    64    65.00000  117.02400
   51    67    68    80.00000  123.72100
   52    53    57    60.00000  123.20500
   52    53    58    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.02700
   53    57    64    60.00000  120.93500
   53    57    76    60.00000  120.93500
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   57    64    67    60.00000  119.52600
   57    64    69    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    75.00000  120.00000
   64    67    68    75.00000  123.78400
   64    69    70    63.00000  120.00000
   64    69    72    70.00000  120.00000
   67    51    52    65.00000  118.96000
   69    64    67    60.00000  119.52600
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    57    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   72    69    70    70.00000  120.00000
   58    53    57    65.00000  118.87000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    52    53    70.00000  124.00000
   54    62    63    37.50000  110.70000
   54    62    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   62    44    45    50.00000  109.50000
   62    44    49    70.00000  112.02700
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    39    70.00000  116.00000
   65    62    63    35.00000  109.50000
   65    39    40    90.00000  108.74100
   65    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    65    66    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    62   0.60050  1.0 1.0
   33    37    44    62   0.05600 -1.0 2.0
   33    37    44    62   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    65   0.11950  1.0 1.0
   37    33    39    65   0.20300 -1.0 2.0
   37    33    39    65  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.09700  1.0 1.0
   37    44    49    50   0.15600 -1.0 2.0
   37    44    49    50  -0.50800  1.0 3.0
   37    44    49    51  -0.51250  1.0 1.0
   37    44    49    51  -0.88800 -1.0 2.0
   37    44    49    51   0.08850  1.0 3.0
   37    44    62    54  -0.95700  1.0 1.0
   37    44    62    54  -0.18200 -1.0 2.0
   37    44    62    54   0.29450  1.0 3.0
   37    44    62    63  -0.11250  1.0 3.0
   37    44   -62    65   0.11950  1.0 1.0
   37    44   -62    65   0.20300 -1.0 2.0
   37    44   -62    65  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    62   0.30150 -1.0 2.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    67   7.00000 -1.0 2.0
   44    62    65    66   0.30150 -1.0 2.0
   44    62    65    39   0.60050  1.0 1.0
   44    62    65    39   0.05600 -1.0 2.0
   44    62    65    39   0.26150  1.0 3.0
   45    44    49    50   0.09700  1.0 1.0
   45    44    49    50   0.15600 -1.0 2.0
   45    44    49    50  -0.50800  1.0 3.0
   45    44    49    51   0.39000  1.0 1.0
   45    44    49    51  -0.05800 -1.0 2.0
   45    44    49    51  -0.55150  1.0 3.0
   45    44    62    54   0.62750  1.0 1.0
   45    44    62    54  -0.30950 -1.0 2.0
   45    44    62    54   0.27300  1.0 3.0
   45    44    62    63   0.23400  1.0 3.0
   45    44    62    65  -0.09450  1.0 1.0
   45    44    62    65  -1.12950 -1.0 2.0
   45    44    62    65   0.54000  1.0 3.0
   49    44    62    54   0.34400  1.0 1.0
   49    44    62    54   0.09450 -1.0 2.0
   49    44    62    54   0.11100  1.0 3.0
   49    44    62    63   0.15000  1.0 3.0
   49    44    62    65  -0.98800  1.0 1.0
   49    44    62    65   0.48800 -1.0 2.0
   49    44    62    65   0.76800  1.0 3.0
   49    51    52    53   0.28850  1.0 1.0
   49    51    52    53   2.61350 -1.0 2.0
   49    51    52    53   0.78400  1.0 3.0
   49    51   -52    54  -0.18600  1.0 3.0
   49    51    67    64  -1.65800  1.0 1.0
   49    51    67    64   0.77650 -1.0 2.0
   49    51    67    68   1.00000 -1.0 2.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    67   7.00000 -1.0 2.0
   51    52    53    57   7.00000 -1.0 2.0
   51    52    53    58   7.00000 -1.0 2.0
   51    52    54    55   0.00000  1.0 1.0
   51    52    54    56   0.00000  1.0 1.0
   51    52    54    62   0.98200  1.0 1.0
   51    52    54    62  -0.11900 -1.0 2.0
   51    52    54    62   0.24250  1.0 3.0
   52    51    67    64  -1.65800  1.0 1.0
   52    51    67    64   0.77650 -1.0 2.0
   52    51    67    68   1.00000 -1.0 2.0
   52    53   -57    64   0.15800  1.0 1.0
   52    53   -57    64   1.85350 -1.0 2.0
   52    53   -57    64  -0.48700  1.0 3.0
   52    53    57    76   0.15800  1.0 1.0
   52    53    57    76   1.85350 -1.0 2.0
   52    53    57    76  -0.48700  1.0 3.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    61   0.00000  1.0 1.0
   52    54   -62    44   0.34400  1.0 1.0
   52    54   -62    44   0.09450 -1.0 2.0
   52    54   -62    44   0.11100  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    65  -0.98800  1.0 1.0
   52    54    62    65   0.48800 -1.0 2.0
   52    54    62    65   0.76800  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    62   0.09850  1.0 1.0
   53    52    54    62   0.15250 -1.0 2.0
   53    52    54    62  -0.50650  1.0 3.0
   53    57    64    67   3.62500 -1.0 2.0
   53    57    64    69   3.62500 -1.0 2.0
   53    57    76    74   3.62500 -1.0 2.0
   53    57    76    77   3.62500 -1.0 2.0
   57    53    58    59   0.77000  1.0 3.0
   57    53    58    60   0.77000  1.0 3.0
   57    53    58    61   0.77000  1.0 3.0
   57    64   -67    51  -0.11500  1.0 1.0
   57    64   -67    51   1.10450 -1.0 2.0
   57    64   -67    51  -0.48050  1.0 3.0
   57    64    67    68   1.05000 -1.0 2.0
   57    64    69    70   3.62500 -1.0 2.0
   57    64    69    72   3.62500 -1.0 2.0
   64    57    76    74   3.62500 -1.0 2.0
   64    57    76    77   3.62500 -1.0 2.0
   64    69    70    71   3.62500 -1.0 2.0
   64    69   -70    74   3.62500 -1.0 2.0
   64    69    72    73   0.84100 -1.0 2.0
   67    51   -52    53  -0.18600  1.0 3.0
   67    51    52    54   1.08500 -1.0 2.0
   67    64    69    70   3.62500 -1.0 2.0
   67    64    69    72   3.62500 -1.0 2.0
   69    64    67    51  -0.11500  1.0 1.0
   69    64    67    51   1.10450 -1.0 2.0
   69    64    67    51  -0.48050  1.0 3.0
   69    64    67    68   1.05000 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70    74    76   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   70    74   -76    57   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57    64    67   3.62500 -1.0 2.0
   76    57   -64    69   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   58    53    57    64  -0.02500  1.0 1.0
   58    53    57    64  -0.32150 -1.0 2.0
   58    53    57    64  -0.01500  1.0 3.0
   58    53    57    76  -0.02500  1.0 1.0
   58    53    57    76  -0.32150 -1.0 2.0
   58    53    57    76  -0.01500  1.0 3.0
   54    52    53    57   7.00000 -1.0 2.0
   54    52    53    58   7.00000 -1.0 2.0
   54    62    65    66   0.30150 -1.0 2.0
   54    62    65    39   0.60050  1.0 1.0
   54    62    65    39   0.05600 -1.0 2.0
   54    62    65    39   0.26150  1.0 3.0
   55    54    62    44   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    65  -0.11250  1.0 3.0
   56    54    62    44   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    65  -0.11250  1.0 3.0
   62    44    49    50   0.09700  1.0 1.0
   62    44    49    50   0.15600 -1.0 2.0
   62    44    49    50  -0.50800  1.0 3.0
   62    44   -49    51   0.09850  1.0 1.0
   62    44   -49    51   0.15250 -1.0 2.0
   62    44   -49    51  -0.50650  1.0 3.0
   62    65   -39    33   0.60050  1.0 1.0
   62    65   -39    33   0.05600 -1.0 2.0
   62    65   -39    33   0.26150  1.0 3.0
   62    65    39    40   0.55300  1.0 1.0
   62    65    39    40   1.25850 -1.0 2.0
   62    65    39    40  -0.23600  1.0 3.0
   62    65    39    41   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    39   0.00000  1.0 1.0
   66    65    39    33   0.30150 -1.0 2.0
   66    65    39    40   0.30150 -1.0 2.0
   66    65    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    65   0.11950  1.0 1.0
   42    33    39    65   0.20300 -1.0 2.0
   42    33    39    65  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    50    49    51   1.10000 -1.0 2.0
   52    67    51    49   1.10000 -1.0 2.0
   51    54    52    53   1.10000 -1.0 2.0
   57    58    53    52   1.10000 -1.0 2.0
   64    76    57    53   4.00000 -1.0 2.0
   67    69    64    57   4.00000 -1.0 2.0
   51    64    67    68  10.50000 -1.0 2.0
   70    72    69    64   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   62    39    65    66  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
