* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    150    233     446
    1     0 S   NP   _N1_     1    28.51414    96.53740   -21.77998
    2     1 S   H    _HN1     2     1.02777    92.68600   -78.66291
    3     1 S   H    _H1_     3     1.02960    75.42624    29.59307
    4     1 S   H    _H2_     4     1.02833    42.07847   167.28906
    5     1 S   CT   _CA1     5     1.50123   149.66921   135.12500
    6     5 S   HC   _HA1     6     1.09576   105.21712    81.55876
    7     5 S   CO3  _C1_     7     1.53771   112.42920   -38.62572
    8     7 S   O2Z  _O11     8     1.26359   114.99300   -42.78564
    9     7 S   O2Z  _O12     9     1.26239   114.91587   136.37332
   10     5 S   CT   _CB1    10     1.53087   107.42114  -160.53523
   11    10 S   HC   HB11    11     1.09827   109.27631   -50.83149
   12    10 S   HC   HB12    12     1.09819   110.42865    65.70112
   13    10 S   CT   _CG1    13     1.53017   112.71407  -171.94034
   14    13 S   HC   HG11    14     1.09594   110.46874   -64.99294
   15    13 S   HC   HG12    15     1.09658   109.95475    54.24898
   16    13 S   C    _CD1    16     1.51819   112.30376   174.57205
   17    16 S   O    _OE1    17     1.22722   123.24152    -0.21580
   18    16 S   N    _N2_    18     1.38652   111.65563   179.98022
   19    18 S   H    _HN2    19     1.01586   119.02843     0.85203
   20    18 S   CT1  _CA2    20     1.46160   123.32840   179.20426
   21    20 S   HC   _HA2    21     1.09686   109.12429    -6.73947
   22    20 S   C    _C2_    22     1.53477   109.18328  -122.12190
   23    22 S   O    _O2_    23     1.23066   121.97851  -150.83102
   24    20 S   CT   _CB2    32     1.53366   111.39270   115.33673
   25    24 S   HC   HB21    33     1.09594   109.87907    52.36226
   26    24 S   HC   HB22    34     1.09372   110.65399   171.36096
   27    22 S   N    _N3_    24     1.38419   113.71000    36.87305
   28    27 S   H    _HN3    25     1.01509   118.96631    -0.67609
   29    24 S   S    _SG2    35     1.82496   111.64858   -68.67265
   30    27 S   CT   _CA3    26     1.45437   123.39715   174.94910
   31    30 S   HC   HA31    27     1.09526   109.24210    25.49139
   32    30 S   HC   HA32    28     1.09497   107.16217   142.48171
   33    29 S   CT   _C18    36     1.83569    98.98377   172.88404
   34    33 S   HC   _H3_    37     1.09628   104.82838   -49.92593
   35    30 S   CO3  _C3_    29     1.52896   112.93173   -97.96402
   36    35 S   O2Z  _O31    30     1.26411   115.28512   -48.27532
   37    35 S   O2Z  _O32    31     1.26339   115.05025   132.57194
   38    33 S   CT   _C10    38     1.53872   113.85382  -166.40226
   39    38 S   HC   _H33    39     1.09976   108.12899   168.77849
   40    38 S   CM   _C5_    40     1.49256   109.61580   -76.11812
   41    40 S   CM   _C4_    41     1.33580   121.56776   124.20221
   42    41 S   HC   _H27    42     1.08630   120.26554  -178.58432
   43    40 S   CT   _C11    49     1.51135   114.97230   -53.56643
   44    43 S   HC   _H34    50     1.09987   108.73216   165.49937
   45    41 S   CT   _C9_    43     1.48414   122.54129     0.92704
   46    45 S   HC   _H31    44     1.09476   109.44340   124.32296
   47    45 S   HC   _H32    45     1.09472   109.86213  -117.66874
   48    43 S   CO   _C16    51     1.54977   110.65665    47.85111
   49    48 S   HC   _H39    52     1.09706   107.41139  -159.47763
   50    43 S   CM   _C8_    77     1.51402   111.06703   -75.77570
   51    50 S   HC   _H30    78     1.08778   117.92409    67.20082
   52    45 S   OS   _O18    46     1.44224   115.43746     3.77548
   53    33 S   OS   _O20    53     1.43715   113.82037    64.57175
   54    48 S   OS1  _O25    54     1.43572   108.31453    84.37624
   55    50 S   CM   _C7_    79     1.33869   123.93103  -113.49545
   56    55 S   HC   _H28    80     1.08481   120.46630  -179.66080
   57    55 S   HC   _H29    81     1.08455   121.66235     0.41022
   58    38 S   CO4  _C6_    47     1.51894   112.09535    54.48665
   59    58 S   O    _O17    48     1.23069   120.82018    56.03140
   60    54 S   CO1  _C17    55     1.43500   113.17086   153.84756
   61    60 S   HC   _H40    56     1.09712   108.48217    54.50049
   62    60 S   CT   _C14    57     1.53484   107.67385   174.37778
   63    62 S   HC   _H37    58     1.09686   109.75772    52.30398
   64    62 S   CT   _C12    59     1.53210   111.43390   174.17584
   65    64 S   HC   _H35    60     1.09676   110.23053    73.95137
   66    62 S   OH5  _O23    75     1.42738   110.23278   -64.36622
   67    66 S   HO   _H46    76     0.97198   108.04034   -67.60464
   68    64 S   CT   _C13    61     1.53118   111.50958   -48.73047
   69    68 S   HC   _H36    62     1.09704   109.07583   -71.68765
   70    64 S   OH5  _O21    73     1.42949   109.62189  -170.19705
   71    70 S   HO   _H44    74     0.97231   108.15928    59.93063
   72    68 S   CT   _C15    63     1.53127   110.53221    49.50283
   73    72 S   HC   _H38    64     1.09834   111.02522    63.97387
   74    68 S   OH5  _O22    71     1.42588   109.77135   171.40783
   75    74 S   HO   _H45    72     0.97269   108.19763   -56.61126
   76    60 S   OS1  _O19    65     1.43050   110.59857   -66.37067
   77    72 S   CT   _C19    66     1.52966   111.57528  -175.11922
   78    77 S   HC   _H42    67     1.09502   111.02010    69.13825
   79    77 S   HC   _H43    68     1.09397   111.55999   -53.29283
   80    77 S   OH5  _O24    69     1.42512   109.01201  -172.23204
   81    80 S   HO   _H47    70     0.97244   107.01172  -178.46685
  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   8   5   4   3
  13   6   2   1   1  13   7  17  10   5  13   7   5   3   2  10
   4   6   3   2   3   8   2   1   1   1   1  13   6  12   7  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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    58    48    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    58    59    43    48    49    53    54  
   38    39    40    58    48    53  
   36    37  
   37  
    0  
   39    40    41    42    45    52    58    59    43    44    48    53    50  
   40    41    52    58    59    43    53  
   41    42    45    46    47    52    58    59    43    44    48    49    53    54    50    51    55  
   42    45    46    47    52    58    43    44    48    50  
   45    46    47    52    43  
   44    48    49    53    54    60    50    51    55    56    57    45    58  
   48    49    53    54    50    51    55  
   46    47    52    58    59  
   47    52    58  
   52    58  
   49    53    54    60    61    62    76    50    51    55  
   53    54    60    50  
   51    55    56    57    53    54  
   55    56    57  
   58    59  
   54    60    58  
   60    61    62    63    64    72    76    66  
   56    57  
   57  
    0  
   59  
    0  
   61    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   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
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   268.000  1.529
   33    53   320.000  1.410
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    58   317.000  1.522
   40    41   549.000  1.340
   40    43   317.000  1.510
   41    42   340.000  1.080
   41    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    58   214.000  1.327
   58    59   570.000  1.229
   43    44   340.000  1.090
   43    48   250.000  1.527
   43    50   317.000  1.510
   48    49   340.000  1.090
   48    53   320.000  1.380
   48    54   320.000  1.380
   54    60   370.000  1.399
   60    61   360.000  1.097
   60    62   255.000  1.525
   60    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
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  111.63000
   29    33    53    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    58    63.00000  111.10000
   33    53    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    43    65.00000  117.92700
   38    58    52    81.00000  111.40000
   38    58    59    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  124.00000
   40    43    44    35.00000  109.50000
   40    43    48    70.00000  112.02700
   40    43    50    70.00000  110.12100
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    52    85.00000  110.90400
   45    41    42    35.00000  117.00000
   45    52    58    83.00000  116.90000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    58    59    83.00000  123.40000
   58    38    39    35.00000  109.50000
   58    38    40    70.00000  109.06800
   43    40    41    70.00000  124.00000
   43    48    49    45.00000  112.01100
   43    48    53    90.00000  108.56700
   43    48    54    90.00000  108.56700
   43    50    51    35.00000  117.00000
   43    50    55    70.00000  124.00000
   48    43    44    45.00000  108.72000
   48    54    60    90.00000  112.10700
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    48    49    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    53    92.60000  111.55000
   54    60    61    60.00000  105.75400
   54    60    62    90.00000  109.70700
   54    60    76   110.00000  113.16000
   60    62    63    45.00000  109.54000
   60    62    64    70.00000  111.10000
   60    62    66    90.00000  109.42000
   60    76    72    90.00000  112.10700
   62    60    61    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    60    61    60.00000  105.75400
   76    60    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   50    43    44    35.00000  109.50000
   50    43    48    70.00000  112.02700
   50    55    56    35.00000  120.00000
   50    55    57    35.00000  120.00000
   55    50    51    35.00000  120.00000
   57    55    56    35.00000  117.00000
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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    58   0.56750  1.0 1.0
   29    33    38    58  -0.07550 -1.0 2.0
   29    33    38    58   0.20000  1.0 3.0
   29    33    53    48   0.14700  1.0 1.0
   29    33    53    48  -1.16150 -1.0 2.0
   29    33    53    48   0.48700  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38    40    43   0.46850  1.0 1.0
   33    38    40    43   0.08550 -1.0 2.0
   33    38    40    43   0.09800  1.0 3.0
   33    38    58    52   0.36750  1.0 3.0
   33    38    58    59   0.30150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    58  -0.11250  1.0 3.0
   34    33    53    48   0.37050  1.0 3.0
   38    33    53    48   0.06250  1.0 1.0
   38    33    53    48  -0.01100 -1.0 2.0
   38    33    53    48   0.28050  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    43    44   0.34800  1.0 3.0
   38    40   -43    48   0.46850  1.0 1.0
   38    40   -43    48   0.08550 -1.0 2.0
   38    40   -43    48   0.09800  1.0 3.0
   38    40    43    50   0.09700  1.0 1.0
   38    40    43    50   0.15600 -1.0 2.0
   38    40    43    50  -0.50800  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    58    52   0.00000  1.0 1.0
   39    38    58    59   0.00000  1.0 1.0
   40    38    58    52   0.40000  1.0 3.0
   40    38    58    59   0.30150 -1.0 2.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41   -45    52   0.39000  1.0 1.0
   40    41   -45    52  -0.05800 -1.0 2.0
   40    41   -45    52  -0.55150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    53   0.61850  1.0 1.0
   40    43    48    53  -0.22750 -1.0 2.0
   40    43    48    53   0.15300  1.0 3.0
   40    43    48    54   0.61850  1.0 1.0
   40    43    48    54  -0.22750 -1.0 2.0
   40    43    48    54   0.15300  1.0 3.0
   40    43    50    51   0.00000  1.0 1.0
   40    43    50    55  -0.28300  1.0 1.0
   40    43    50    55   0.26700 -1.0 2.0
   40    43    50    55  -0.63300  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    48   0.09850  1.0 1.0
   41    40    43    48   0.15250 -1.0 2.0
   41    40    43    48  -0.50650  1.0 3.0
   41    40    43    50  -0.28300  1.0 1.0
   41    40    43    50   0.26700 -1.0 2.0
   41    40    43    50  -0.63300  1.0 3.0
   41    45    52    58  -0.82050  1.0 1.0
   41    45    52    58   0.00600 -1.0 2.0
   41    45    52    58   0.04400  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    47   0.33100  1.0 3.0
   42    41    45    52   0.00000  1.0 1.0
   45    52   -58    38   1.63150  1.0 1.0
   45    52   -58    38   2.92000 -1.0 2.0
   45    52    58    59   3.00000 -1.0 2.0
   46    45    52    58   0.08050  1.0 3.0
   47    45    52    58   0.08050  1.0 3.0
   58    38   -40    41  -0.51250  1.0 1.0
   58    38   -40    41  -0.88800 -1.0 2.0
   58    38   -40    41   0.08850  1.0 3.0
   58    38    40    43   0.17250  1.0 1.0
   58    38    40    43  -0.04100 -1.0 2.0
   58    38    40    43  -0.33850  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    45   7.00000 -1.0 2.0
   43    48   -53    33   0.06250  1.0 1.0
   43    48   -53    33  -0.01100 -1.0 2.0
   43    48   -53    33   0.28050  1.0 3.0
   43    48    54    60   0.06250  1.0 1.0
   43    48    54    60  -0.01100 -1.0 2.0
   43    48    54    60   0.28050  1.0 3.0
   43    50    55    56   7.00000 -1.0 2.0
   43    50    55    57   7.00000 -1.0 2.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    53   0.23400  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   44    43    50    51   0.33100  1.0 3.0
   44    43    50    55   0.00000  1.0 1.0
   48    43    50    51   0.00000  1.0 1.0
   48    43    50    55   0.09850  1.0 1.0
   48    43    50    55   0.15250 -1.0 2.0
   48    43    50    55  -0.50650  1.0 3.0
   48    54    60    61   0.37050  1.0 3.0
   48    54    60    62   0.06250  1.0 1.0
   48    54    60    62  -0.01100 -1.0 2.0
   48    54    60    62   0.28050  1.0 3.0
   48    54    60    76  -0.12700  1.0 1.0
   48    54    60    76  -1.16200 -1.0 2.0
   48    54    60    76   0.58800  1.0 3.0
   49    48    53    33   0.37050  1.0 3.0
   49    48    54    60   0.37050  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33   -38    40   0.61850  1.0 1.0
   53    33   -38    40  -0.22750 -1.0 2.0
   53    33   -38    40   0.15300  1.0 3.0
   53    33    38    58  -0.09450  1.0 1.0
   53    33    38    58  -1.12950 -1.0 2.0
   53    33    38    58   0.54000  1.0 3.0
   53    48    54    60  -0.53350  1.0 1.0
   53    48    54    60  -0.78350 -1.0 2.0
   53    48    54    60   0.33750  1.0 3.0
   54    48    53    33  -0.81800  1.0 1.0
   54    60    62    63   0.23400  1.0 3.0
   54    60    62    64   0.62750  1.0 1.0
   54    60    62    64  -0.30950 -1.0 2.0
   54    60    62    64   0.27300  1.0 3.0
   54    60    62    66   1.51850  1.0 1.0
   54    60    76    72  -0.70400  1.0 1.0
   54    60    76    72  -0.90350 -1.0 2.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    68   0.56750  1.0 1.0
   60    62    64    68  -0.07550 -1.0 2.0
   60    62    64    68   0.20000  1.0 3.0
   60    62    64    70  -0.47750  1.0 1.0
   60    62    66    67   0.29150  1.0 1.0
   60    62    66    67  -0.28350 -1.0 2.0
   60    62    66    67   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60    76    72   0.37050  1.0 3.0
   62    60    76    72   0.06250  1.0 1.0
   62    60    76    72  -0.01100 -1.0 2.0
   62    60    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    60   0.06250  1.0 1.0
   68    72   -76    60  -0.01100 -1.0 2.0
   68    72   -76    60   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80  -0.47750  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    60   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    60    62    63   0.23400  1.0 3.0
   76    60   -62    64   0.62750  1.0 1.0
   76    60   -62    64  -0.30950 -1.0 2.0
   76    60   -62    64   0.27300  1.0 3.0
   76    60    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    60   0.06250  1.0 1.0
   77    72    76    60  -0.01100 -1.0 2.0
   77    72    76    60   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    53   0.61850  1.0 1.0
   50    43    48    53  -0.22750 -1.0 2.0
   50    43    48    53   0.15300  1.0 3.0
   50    43    48    54   0.61850  1.0 1.0
   50    43    48    54  -0.22750 -1.0 2.0
   50    43    48    54   0.15300  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   38    52    58    59  10.50000 -1.0 2.0
   43    51    50    55  15.00000 -1.0 2.0
   56    57    55    50  15.00000 -1.0 2.0
END
