* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    153    249     453
    1     0 S   NP   _N1_     1    28.90125    94.92067   -20.06249
    2     1 S   H    _HN1     2     1.02867    95.49704    29.75557
    3     1 S   H    _H1_     3     1.02957    37.13203   141.35252
    4     1 S   H    _H2_     4     1.02793    78.80822   -77.73637
    5     1 S   CT   _CA1     5     1.50455   144.64597   169.76926
    6     5 S   HC   _HA1     6     1.09685   104.71894    45.29404
    7     5 S   CO3  _C1_     7     1.54439   110.85882   -70.84607
    8     7 S   O2Z  _O11     8     1.26086   116.62837  -114.95548
    9     7 S   O2Z  _O12     9     1.26527   113.78717    63.80566
   10     5 S   CT   _CB1    10     1.53080   107.07461   161.37577
   11    10 S   HC   HB11    11     1.09828   109.95273   -43.92968
   12    10 S   HC   HB12    12     1.09799   110.18428    72.70392
   13    10 S   CT   _CG1    13     1.53075   112.33133  -164.64942
   14    13 S   HC   HG11    14     1.09460   110.79704   -52.82060
   15    13 S   HC   HG12    15     1.09629   110.08412    65.96064
   16    13 S   C    _CD1    16     1.51746   111.70519  -174.33580
   17    16 S   O    _OE1    17     1.22770   122.91261   -21.26004
   18    16 S   N    _N2_    18     1.38522   111.97968   159.94607
   19    18 S   H    _HN2    19     1.01574   119.16586     0.54894
   20    18 S   CT1  _CA2    20     1.46163   123.35753  -178.15506
   21    20 S   HC   _HA2    21     1.09730   109.39093   -13.53222
   22    20 S   C    _C2_    22     1.53409   108.35155  -129.28854
   23    22 S   O    _O2_    23     1.23013   122.26455  -146.09242
   24    20 S   CT   _CB2    32     1.53427   111.33371   108.52180
   25    24 S   HC   HB21    33     1.09483   109.70202    55.64167
   26    24 S   HC   HB22    34     1.09520   110.31357   174.35357
   27    22 S   N    _N3_    24     1.38519   113.36353    41.30062
   28    27 S   H    _HN3    25     1.01526   118.90334    -0.54429
   29    24 S   S    _SG2    35     1.82871   111.83732   -66.10642
   30    27 S   CT   _CA3    26     1.45443   123.41741   175.18143
   31    30 S   HC   HA31    27     1.09525   109.21069    24.97561
   32    30 S   HC   HA32    28     1.09495   107.12940   141.96531
   33    29 S   CT   _C6_    36     1.84133    99.67274   172.47321
   34    33 S   HC   _H4_    37     1.09854   104.88309    38.52578
   35    30 S   CO3  _C3_    29     1.52921   113.12876   -98.48967
   36    35 S   O2Z  _O31    30     1.26401   115.40698   -44.74167
   37    35 S   O2Z  _O32    31     1.26356   114.98647   136.20961
   38    33 S   CT   _C5_    38     1.53985   113.18484   153.08568
   39    38 S   HC   _H3_    39     1.09927   108.09195  -168.64658
   40    38 S   CO4  _C10    40     1.51799   109.34711    76.78032
   41    40 S   O    _O33    41     1.22954   122.90102  -123.63663
   42    38 S   CT   _C4_    74     1.52867   114.89769   -50.36484
   43    42 S   HC   _H9_    75     1.09466   112.59102    69.99260
   44    42 S   HC   _H10    76     1.09483   110.91578   -51.93976
   45    42 S   HC   _H11    77     1.09610   110.15108  -171.08972
   46    40 S   CT   _C9_    42     1.52510   114.77058    59.92745
   47    46 S   HC   _H6_    43     1.08900   104.73504    63.53059
   48    46 S   CT   _C8_    44     1.56657   111.62521   -58.59530
   49    46 S   OH   _O34    72     1.41932   108.74933   177.91146
   50    49 S   HO   _H12    73     0.97297   107.57636   -56.57404
   51    33 S   CT   _C7_    45     1.55589   112.81652   -78.70201
   52    51 S   HC   _H5_    46     1.09205   107.12411    41.47614
   53    48 S   CT   _C11    55     1.62561   111.43164   166.04837
   54    48 S   CT   _C18    67     1.56800   106.12160   -73.03527
   55    54 S   HC   _H21    68     1.09361   111.34965    47.74260
   56    54 S   HC   _H22    69     1.09358   111.30012   -69.76859
   57    51 S   OS   _O36    47     1.44794   104.75104   154.13142
   58    65 S   C3T  _C15    56     1.48331   108.14189   -62.96694
   59    53 S   CT   _C17    61     1.53170   114.93788    63.44892
   60    59 S   HC   _H18    62     1.09322   111.98922   -64.15374
   61    59 S   HC   _H19    63     1.09629   111.30301   177.06742
   62    59 S   HC   _H20    64     1.09286   112.16905    58.55605
   63    54 S   OH   _O38    70     1.41733   113.46301   168.52626
   64    63 S   HO   _H23    71     0.97659   106.78670   167.60974
   65    57 S   CT   _C14    48     1.43043   116.84859   178.51246
   66    65 S   HC   _H8_    49     1.09415   107.93238   172.97680
   67    58 S   C3T  _C16    57     1.51551   120.89029  -140.45460
   68    67 S   HC   _H15    58     1.08065   120.66552  -148.11626
   69    67 S   HC   _H16    59     1.08300   118.74235     2.11109
   70    65 S   CT   _C13    50     1.53848   114.79603    47.79117
   71    70 S   HC   _H7_    51     1.09756   109.26714   159.98054
   72    58 S   O3T  _O35    60     1.41862   119.31121   -71.64735
   73    70 S   CT   _C12    52     1.55142   104.76459   -84.20338
   74    73 S   HC   _H13    53     1.08824   112.53916   123.60437
   75    73 S   HC   _H14    54     1.09846   107.43868  -120.17269
   76    70 S   OH   _O37    65     1.41266   113.23265    39.91084
   77    76 S   HO   _H17    66     0.97235   107.54016  -173.84744
  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  10   5   4   3
  17   8   2   1   1  14   8  13   5   5   2   1   1  15   6  23
   4   1  13   4  22   8   3   2   9  16  10   3   2   1   1   1
  12   6   5   2   1   7   5   1   4   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    48    51    52    57    65    53    54    42    43    44    45  
   38    39    40    48    51    52    57    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    51    52    57    49    42    43    44    45  
   40    41    46    51    42    43    44    45  
   41    46    47    48    51    53    54    49    50    42    43    44    45  
   46    47    48    49    42  
   43    44    45    46    51  
   44    45  
   45  
    0  
   47    48    51    52    57    73    53    58    59    54    55    56    63    49    50  
   48    51    53    54    49    50  
   51    52    57    65    70    73    74    75    53    58    67    72    59    60    61    62    54    55    56    63    64    49    50  
   50    51    53    54  
    0  
   52    57    65    66    70    73    53    58    59    54    55    56    63  
   57    65    53    54  
   58    67    68    69    72    59    60    61    62    76    54    55    56    63    57    65    66    70    71    73    74    75  
   55    56    63    64    57    58    59    73  
   56    63    64  
   63    64  
   65    66    70    71    73    58    67    72    76  
   67    68    69    72    59    60    61    62    76    65    66    70    71    73    74    75  
   60    61    62    65    67    70    72    73    74    75  
   61    62    73  
   62    73  
   73  
   64  
    0  
   66    70    71    73    74    75    67    68    69    72    76    77  
   70    71    73    67    72    76  
   68    69    72    70    73  
   69    72  
   72  
   71    73    74    75    72    76    77  
   73    74    75    76    77  
   73  
   74    75    76    77  
   75    76  
   76  
   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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    53   268.000  1.529
   48    54   268.000  1.529
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    65   320.000  1.410
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    58   275.000  1.510
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    53   268.000  1.529
   53    58   275.000  1.510
   53    59   268.000  1.529
   58    67   260.000  1.509
   58    72   335.000  1.432
   67    68   340.000  1.088
   67    69   340.000  1.088
   67    72   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   76    77   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   320.000  1.410
   63    64   553.000  0.945
   49    50   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    48    63.00000  111.10000
   40    46    49    90.00000  109.61100
   46    40    41    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    48    54    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    50.00000  109.50000
   48    53    73    58.35000  112.70000
   48    53    58    70.00000  112.37300
   48    53    59    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    63    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    57    65    60.00000  109.50000
   57    51    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    70    50.00000  109.50000
   57    65    58    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    73    58.35000  112.70000
   65    70    76    50.00000  109.50000
   65    58    53    58.35000  112.70000
   65    58    67    60.00000  120.94000
   65    58    72    80.00000  116.47100
   70    65    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    53    58.35000  112.70000
   70    76    77    55.00000  108.50000
   73    70    71    37.50000  110.70000
   73    53    58    70.00000  112.37300
   73    53    59    58.35000  112.70000
   75    73    74    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    73    74    37.50000  110.70000
   53    73    75    37.50000  110.70000
   53    58    67    60.00000  120.94000
   53    58    72    80.00000  116.47100
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   58    65    66    45.00000  109.38400
   58    65    70    70.00000  112.37300
   58    67    68    37.50000  117.20000
   58    67    69    37.50000  117.20000
   58    67    72    15.00000   60.43100
   58    72    67    15.00000   59.14900
   69    67    68    35.00000  114.30000
   72    58    67    15.00000   60.43100
   72    67    68    50.00000  114.27700
   72    67    69    50.00000  114.27700
   59    53    58    70.00000  112.37300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    73    50.00000  109.50000
   54    48    51    58.35000  112.70000
   54    48    53    58.35000  112.70000
   54    63    64    55.00000  108.50000
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    46   0.60050  1.0 1.0
   33    38    40    46   0.05600 -1.0 2.0
   33    38    40    46   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    51    57    65   0.06250  1.0 1.0
   33    51    57    65  -0.01100 -1.0 2.0
   33    51    57    65   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.62750  1.0 1.0
   38    33    51    57  -0.30950 -1.0 2.0
   38    33    51    57   0.27300  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.60050  1.0 1.0
   38    40   -46    48   0.05600 -1.0 2.0
   38    40   -46    48   0.26150  1.0 3.0
   38    40    46    49   0.55300  1.0 1.0
   38    40    46    49   1.25850 -1.0 2.0
   38    40    46    49  -0.23600  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46    48    51  -0.95700  1.0 1.0
   40    46    48    51  -0.18200 -1.0 2.0
   40    46    48    51   0.29450  1.0 3.0
   40    46    48    53  -0.95700  1.0 1.0
   40    46    48    53  -0.18200 -1.0 2.0
   40    46    48    53   0.29450  1.0 3.0
   40    46    48    54  -0.95700  1.0 1.0
   40    46    48    54  -0.18200 -1.0 2.0
   40    46    48    54   0.29450  1.0 3.0
   40    46    49    50   0.91850  1.0 1.0
   40    46    49    50   0.57950  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.30150 -1.0 2.0
   41    40    46    49   0.30150 -1.0 2.0
   46    48   -51    33   0.56750  1.0 1.0
   46    48   -51    33  -0.07550 -1.0 2.0
   46    48   -51    33   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    57   0.62750  1.0 1.0
   46    48    51    57  -0.30950 -1.0 2.0
   46    48    51    57   0.27300  1.0 3.0
   46    48    53    73   0.56750  1.0 1.0
   46    48    53    73  -0.07550 -1.0 2.0
   46    48    53    73   0.20000  1.0 3.0
   46    48    53    58   0.47050  1.0 1.0
   46    48    53    58   0.03900 -1.0 2.0
   46    48    53    58   0.20100  1.0 3.0
   46    48    53    59   0.56750  1.0 1.0
   46    48    53    59  -0.07550 -1.0 2.0
   46    48    53    59   0.20000  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    56   0.15000  1.0 3.0
   46    48    54    63   0.86500  1.0 1.0
   46    48    54    63  -0.17500 -1.0 2.0
   46    48    54    63   0.20800  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    53   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    49    50   0.19450  1.0 3.0
   48    46    49    50  -0.11600  1.0 1.0
   48    46    49    50  -0.09450 -1.0 2.0
   48    46    49    50   0.21250  1.0 3.0
   48    51    57    65   0.06250  1.0 1.0
   48    51    57    65  -0.01100 -1.0 2.0
   48    51    57    65   0.28050  1.0 3.0
   48    53   -58    65   0.56750  1.0 1.0
   48    53   -58    65  -0.07550 -1.0 2.0
   48    53   -58    65   0.20000  1.0 3.0
   48    53    58    67   0.07850  1.0 1.0
   48    53    58    67  -0.03950 -1.0 2.0
   48    53    58    67   0.67350  1.0 3.0
   48    53    58    72   0.02550  1.0 1.0
   48    53    58    72  -0.02600 -1.0 2.0
   48    53    58    72   1.20400  1.0 3.0
   48    53    59    60   0.15000  1.0 3.0
   48    53    59    61   0.15000  1.0 3.0
   48    53    59    62   0.15000  1.0 3.0
   48    54    63    64  -0.11600  1.0 1.0
   48    54    63    64  -0.09450 -1.0 2.0
   48    54    63    64   0.21250  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.95700  1.0 1.0
   51    33   -38    40  -0.18200 -1.0 2.0
   51    33   -38    40   0.29450  1.0 3.0
   51    33    38    42   0.56750  1.0 1.0
   51    33    38    42  -0.07550 -1.0 2.0
   51    33    38    42   0.20000  1.0 3.0
   51    48    53    73   0.56750  1.0 1.0
   51    48    53    73  -0.07550 -1.0 2.0
   51    48    53    73   0.20000  1.0 3.0
   51    48    53    58   0.47050  1.0 1.0
   51    48    53    58   0.03900 -1.0 2.0
   51    48    53    58   0.20100  1.0 3.0
   51    48    53    59   0.56750  1.0 1.0
   51    48    53    59  -0.07550 -1.0 2.0
   51    48    53    59   0.20000  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    63   0.86500  1.0 1.0
   51    48    54    63  -0.17500 -1.0 2.0
   51    48    54    63   0.20800  1.0 3.0
   51    57    65    66   0.37050  1.0 3.0
   51    57    65    70   0.06250  1.0 1.0
   51    57    65    70  -0.01100 -1.0 2.0
   51    57    65    70   0.28050  1.0 3.0
   51    57   -65    58   0.06250  1.0 1.0
   51    57   -65    58  -0.01100 -1.0 2.0
   51    57   -65    58   0.28050  1.0 3.0
   52    51    57    65   0.37050  1.0 3.0
   57    65    70    71   0.23400  1.0 3.0
   57    65    70    73   0.62750  1.0 1.0
   57    65    70    73  -0.30950 -1.0 2.0
   57    65    70    73   0.27300  1.0 3.0
   57    65    70    76   3.69350  1.0 1.0
   57    65    70    76  -1.82950 -1.0 2.0
   57    65    58    53   0.62750  1.0 1.0
   57    65    58    53  -0.30950 -1.0 2.0
   57    65    58    53   0.27300  1.0 3.0
   57    65    58    67  -0.26800  1.0 1.0
   57    65    58    67   0.69150 -1.0 2.0
   57    65    58    67  -0.48750  1.0 3.0
   57    65    58    72   1.11900  1.0 1.0
   57    65    58    72  -1.16350 -1.0 2.0
   57    65    58    72  -0.34150  1.0 3.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.15000  1.0 3.0
   65    70   -73    53   0.56750  1.0 1.0
   65    70   -73    53  -0.07550 -1.0 2.0
   65    70   -73    53   0.20000  1.0 3.0
   65    70    76    77  -0.11600  1.0 1.0
   65    70    76    77  -0.09450 -1.0 2.0
   65    70    76    77   0.21250  1.0 3.0
   65    58    67    68   0.15000  1.0 3.0
   65    58    67    69   0.15000  1.0 3.0
   65    58   -67    72   0.02550  1.0 1.0
   65    58   -67    72  -0.02600 -1.0 2.0
   65    58   -67    72   1.20400  1.0 3.0
   65    58   -72    67   0.06250  1.0 1.0
   65    58   -72    67  -0.01100 -1.0 2.0
   65    58   -72    67   0.28050  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    70    76   0.23400  1.0 3.0
   66    65    58    53   0.15000  1.0 3.0
   66    65    58    67   0.15000  1.0 3.0
   66    65    58    72   0.23400  1.0 3.0
   70    65   -58    53   0.56750  1.0 1.0
   70    65   -58    53  -0.07550 -1.0 2.0
   70    65   -58    53   0.20000  1.0 3.0
   70    65    58    67   0.07850  1.0 1.0
   70    65    58    67  -0.03950 -1.0 2.0
   70    65    58    67   0.67350  1.0 3.0
   70    65    58    72   0.02550  1.0 1.0
   70    65    58    72  -0.02600 -1.0 2.0
   70    65    58    72   1.20400  1.0 3.0
   70    73    53    48   0.56750  1.0 1.0
   70    73    53    48  -0.07550 -1.0 2.0
   70    73    53    48   0.20000  1.0 3.0
   70    73   -53    58   0.47050  1.0 1.0
   70    73   -53    58   0.03900 -1.0 2.0
   70    73   -53    58   0.20100  1.0 3.0
   70    73    53    59   0.56750  1.0 1.0
   70    73    53    59  -0.07550 -1.0 2.0
   70    73    53    59   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    53   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   73    70    76    77  -0.11600  1.0 1.0
   73    70    76    77  -0.09450 -1.0 2.0
   73    70    76    77   0.21250  1.0 3.0
   73    53   -58    65   0.56750  1.0 1.0
   73    53   -58    65  -0.07550 -1.0 2.0
   73    53   -58    65   0.20000  1.0 3.0
   73    53    58    67   0.07850  1.0 1.0
   73    53    58    67  -0.03950 -1.0 2.0
   73    53    58    67   0.67350  1.0 3.0
   73    53    58    72   0.02550  1.0 1.0
   73    53    58    72  -0.02600 -1.0 2.0
   73    53    58    72   1.20400  1.0 3.0
   73    53    59    60   0.15000  1.0 3.0
   73    53    59    61   0.15000  1.0 3.0
   73    53    59    62   0.15000  1.0 3.0
   74    73    53    48   0.15000  1.0 3.0
   74    73    53    58   0.15000  1.0 3.0
   74    73    53    59   0.15000  1.0 3.0
   75    73    53    48   0.15000  1.0 3.0
   75    73    53    58   0.15000  1.0 3.0
   75    73    53    59   0.15000  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48   -51    57   0.62750  1.0 1.0
   53    48   -51    57  -0.30950 -1.0 2.0
   53    48   -51    57   0.27300  1.0 3.0
   53    48    54    55   0.15000  1.0 3.0
   53    48    54    56   0.15000  1.0 3.0
   53    48    54    63   0.86500  1.0 1.0
   53    48    54    63  -0.17500 -1.0 2.0
   53    48    54    63   0.20800  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58   -67    72   0.02550  1.0 1.0
   53    58   -67    72  -0.02600 -1.0 2.0
   53    58   -67    72   1.20400  1.0 3.0
   53    58   -72    67   0.06250  1.0 1.0
   53    58   -72    67  -0.01100 -1.0 2.0
   53    58   -72    67   0.28050  1.0 3.0
   58    65    70    71   0.15000  1.0 3.0
   58    65   -70    73   0.47050  1.0 1.0
   58    65   -70    73   0.03900 -1.0 2.0
   58    65   -70    73   0.20100  1.0 3.0
   58    65    70    76   0.86500  1.0 1.0
   58    65    70    76  -0.17500 -1.0 2.0
   58    65    70    76   0.20800  1.0 3.0
   58    53    59    60   0.15000  1.0 3.0
   58    53    59    61   0.15000  1.0 3.0
   58    53    59    62   0.15000  1.0 3.0
   68    67   -72    58   0.36800  1.0 3.0
   69    67   -72    58   0.36800  1.0 3.0
   72    58   -67    68   0.23400  1.0 3.0
   72    58   -67    69   0.23400  1.0 3.0
   59    53    58    65   0.56750  1.0 1.0
   59    53    58    65  -0.07550 -1.0 2.0
   59    53    58    65   0.20000  1.0 3.0
   59    53    58    67   0.07850  1.0 1.0
   59    53    58    67  -0.03950 -1.0 2.0
   59    53    58    67   0.67350  1.0 3.0
   59    53    58    72   0.02550  1.0 1.0
   59    53    58    72  -0.02600 -1.0 2.0
   59    53    58    72   1.20400  1.0 3.0
   76    70    73    74   0.23400  1.0 3.0
   76    70    73    75   0.23400  1.0 3.0
   76    70    73    53   0.86500  1.0 1.0
   76    70    73    53  -0.17500 -1.0 2.0
   76    70    73    53   0.20800  1.0 3.0
   54    48    51    33   0.56750  1.0 1.0
   54    48    51    33  -0.07550 -1.0 2.0
   54    48    51    33   0.20000  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    57   0.62750  1.0 1.0
   54    48    51    57  -0.30950 -1.0 2.0
   54    48    51    57   0.27300  1.0 3.0
   54    48    53    73   0.56750  1.0 1.0
   54    48    53    73  -0.07550 -1.0 2.0
   54    48    53    73   0.20000  1.0 3.0
   54    48    53    58   0.47050  1.0 1.0
   54    48    53    58   0.03900 -1.0 2.0
   54    48    53    58   0.20100  1.0 3.0
   54    48    53    59   0.56750  1.0 1.0
   54    48    53    59  -0.07550 -1.0 2.0
   54    48    53    59   0.20000  1.0 3.0
   55    54    63    64   0.19450  1.0 3.0
   56    54    63    64   0.19450  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   49    46    48    54   0.86500  1.0 1.0
   49    46    48    54  -0.17500 -1.0 2.0
   49    46    48    54   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  1.0 3.0
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
   38    46    40    41  10.50000 -1.0 2.0
END
