* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     445
    1     0 S   NP   _N1_     1    28.75595    95.42795   -24.70027
    2     1 S   H    _HN1     2     1.02787   112.93193   -89.92522
    3     1 S   H    _H1_     3     1.02949    76.13840    14.43386
    4     1 S   H    _H2_     4     1.02829    31.53427  -176.95059
    5     1 S   CT   _CA1     5     1.50110   128.97417   119.64446
    6     5 S   HC   _HA1     6     1.09572   105.19192    89.24818
    7     5 S   CO3  _C1_     7     1.53786   112.48886   -30.98985
    8     7 S   O2Z  _O11     8     1.26371   115.00831   -42.14268
    9     7 S   O2Z  _O12     9     1.26241   114.94949   137.01141
   10     5 S   CT   _CB1    10     1.53081   107.42612  -152.75729
   11    10 S   HC   HB11    11     1.09833   109.37195   -49.64872
   12    10 S   HC   HB12    12     1.09812   110.44902    66.96414
   13    10 S   CT   _CG1    13     1.52990   112.60172  -170.62051
   14    13 S   HC   HG11    14     1.09580   110.64316   -65.86546
   15    13 S   HC   HG12    15     1.09671   109.76860    53.36334
   16    13 S   C    _CD1    16     1.51799   112.22371   173.83013
   17    16 S   O    _OE1    17     1.22729   123.28225     7.61767
   18    16 S   N    _N2_    18     1.38656   111.66950  -172.47131
   19    18 S   H    _HN2    19     1.01575   118.92712     1.80732
   20    18 S   CT1  _CA2    20     1.46212   123.40997   177.28271
   21    20 S   HC   _HA2    21     1.09736   109.35869     3.66714
   22    20 S   C    _C2_    22     1.53580   108.61028  -111.81075
   23    22 S   O    _O2_    23     1.23057   122.29470  -147.95510
   24    20 S   CT   _CB2    32     1.53335   111.57012   125.69832
   25    24 S   HC   HB21    33     1.09585   110.08423    56.07688
   26    24 S   HC   HB22    34     1.09452   109.99049   175.21758
   27    22 S   N    _N3_    24     1.38330   113.72704    39.48488
   28    27 S   H    _HN3    25     1.01574   119.59968    -3.20375
   29    24 S   S    _SG2    35     1.82780   111.49938   -64.91870
   30    27 S   CT   _CA3    26     1.45283   123.22951   177.18276
   31    30 S   HC   HA31    27     1.09548   107.50370   -64.87850
   32    30 S   HC   HA32    28     1.09556   107.99985    51.56925
   33    29 S   CT   _C13    36     1.83588    99.70342   171.12923
   34    33 S   HC   _H9_    37     1.09681   105.64249   -56.41503
   35    30 S   CO3  _C3_    29     1.52962   114.06343   173.57566
   36    35 S   O2Z  _O31    30     1.26378   116.07234    -0.55320
   37    35 S   O2Z  _O32    31     1.26428   114.41271   179.50504
   38    33 S   CT   _C12    38     1.54152   112.32749    64.65639
   39    38 S   HC   _H8_    39     1.09562   112.45234    19.93586
   40    38 S   CT   _C11    40     1.54355   105.00783   139.58247
   41    40 S   HC   _H7_    41     1.09888   105.40163    77.74582
   42    38 S   OH   _O34    75     1.42170   110.11174   -99.73105
   43    42 S   HO   _H17    76     0.97221   108.46869   -60.95475
   44    40 S   CT   _C5_    42     1.54106   115.09827  -164.98963
   45    44 S   HC   _H3_    43     1.09798   109.00198    50.79487
   46    40 S   CT   _C10    60     1.55846   103.54397   -37.05319
   47    44 S   CT   _C6_    44     1.53776   112.83729   169.65668
   48    47 S   HC   _H14    45     1.09924   109.49679   165.78069
   49    47 S   HC   _H15    46     1.09673   109.63369   -82.21147
   50    33 S   CT   _C14    61     1.55114   114.81616  -175.05074
   51    50 S   HC   _H10    62     1.09884   107.21546   134.15777
   52    46 S   CT   _C15    65     1.55136   113.01907   -71.75563
   53    52 S   HC   _H18    66     1.09615   110.91572   176.10947
   54    52 S   HC   _H19    67     1.09277   112.98010    55.68601
   55    52 S   HC   _H20    68     1.09422   111.62854   -64.75853
   56    44 S   CT   _C4_    71     1.53547   111.75179   -66.54117
   57    56 S   HC   _H11    72     1.09486   111.53013   -55.20026
   58    56 S   HC   _H12    73     1.09557   110.96426  -175.55979
   59    56 S   HC   _H13    74     1.09351   111.30533    65.98268
   60    47 S   CT   _C7_    47     1.53305   116.40162    42.40057
   61    60 S   HC   _H4_    48     1.09763   109.41145    63.17817
   62    50 S   OH   _O33    63     1.41704   114.08618    16.07531
   63    62 S   HO   _H16    64     0.97238   107.53497    45.53055
   64    60 S   CT   _C8_    49     1.53890   117.98104   -63.71184
   65    64 S   HC   _H5_    50     1.09687   110.65749   105.36012
   66    64 S   CM   _C16    51     1.49521    99.91060  -140.90815
   67    64 S   CT   _C9_    58     1.54703   114.15854   -18.27194
   68    67 S   HC   _H6_    59     1.09765   108.39189   -50.37417
   69    66 S   CO4  _C18    52     1.47028   110.03542    19.89964
   70    69 S   O    _O36    53     1.21715   127.16275   169.49464
   71    66 S   CM   _C17    55     1.33651   128.35357  -155.79363
   72    71 S   HC   _H22    56     1.08517   120.75504    -2.19731
   73    71 S   HC   _H23    57     1.08519   121.83519   177.65365
   74    67 S   OH   _O35    69     1.43059   110.00054  -165.15514
   75    74 S   HO   _H21    70     0.97220   107.91684    74.95854
   76    60 S   OS   _O37    54     1.44850   105.85727   177.60265
  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
  15   8   2   1   1  15   7  25   9   4   1  16   9  18  14   6
   5  11   4   8   3   2   1   4   2   1   1  11   6   2   1  12
   7   9   6   2   5   2   3   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    67    46    50    51    62    63    52    42    43  
   38    39    40    46    50    51    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    67    46    50    51    62    52    56    42    43  
   40    41    44    46    50    42    43  
   41    44    45    47    48    49    60    64    67    68    46    50    51    62    52    53    54    55    74    56    57    58    59    42    43  
   44    45    47    67    46    50    52    56    42  
   43    44    46    50  
    0  
   45    47    48    49    60    61    64    76    67    46    50    52    56    57    58    59  
   47    48    49    60    46    56    57    58    59  
   50    51    62    63    52    53    54    55    74    75    56    47    60    64    65    66    67    68  
   48    49    60    61    64    65    66    69    76    67    56    57    58    59  
   49    60    61    64    76    56  
   60    61    64    76    56  
   51    62    63    52    53    54    55    74    64    67    68  
   62    63    52    67  
   53    54    55    74    62    64    67    68  
   54    55    67  
   55    67  
   67  
   57    58    59    60  
   58    59  
   59  
    0  
   61    64    65    66    69    70    76    71    67    68    74  
   64    65    66    69    76    67  
   63    67  
    0  
   65    66    69    70    76    71    72    73    67    68    74    75  
   66    69    76    71    67    68    74  
   69    70    76    71    72    73    67    68    74  
   68    74    75    69    71    76  
   74    75  
   70    76    71    72    73  
   76    71  
   72    73    76  
   73  
    0  
   75  
    0  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    56   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    76   320.000  1.410
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    76   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   67    68   340.000  1.090
   67    46   268.000  1.529
   67    74   320.000  1.410
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    62   320.000  1.410
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   74    75   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   553.000  0.945
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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    56    58.35000  112.70000
   40    46    67    58.35000  112.70000
   40    46    50    58.35000  112.70000
   40    46    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    60    58.35000  112.70000
   44    56    57    37.50000  110.70000
   44    56    58    37.50000  110.70000
   44    56    59    37.50000  110.70000
   47    44    45    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    64    58.35000  112.70000
   47    60    76    50.00000  109.50000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    70.00000  112.02700
   60    64    67    58.35000  112.70000
   60    76    69    83.00000  116.90000
   64    60    61    37.50000  110.70000
   64    66    69    65.00000  116.34900
   64    66    71    70.00000  124.00000
   64    67    68    37.50000  110.70000
   64    67    46    58.35000  112.70000
   64    67    74    50.00000  109.50000
   66    64    65    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    76    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   76    60    61    35.00000  109.50000
   76    60    64    50.00000  109.50000
   76    69    70    83.00000  123.40000
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.02700
   67    46    50    58.35000  112.70000
   67    46    52    58.35000  112.70000
   67    74    75    55.00000  108.50000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    62    50.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    62    63    55.00000  108.50000
   62    50    51    35.00000  109.50000
   52    46    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    46    50.00000  109.50000
   56    44    45    37.50000  110.70000
   56    44    47    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    62   0.56750  1.0 1.0
   29    33    50    62  -0.07550 -1.0 2.0
   29    33    50    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    62    63  -0.11600  1.0 1.0
   33    50    62    63  -0.09450 -1.0 2.0
   33    50    62    63   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    62   0.23400  1.0 3.0
   38    33   -50    46   0.56750  1.0 1.0
   38    33   -50    46  -0.07550 -1.0 2.0
   38    33   -50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    62   0.86500  1.0 1.0
   38    33    50    62  -0.17500 -1.0 2.0
   38    33    50    62   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    47   0.56750  1.0 1.0
   38    40    44    47  -0.07550 -1.0 2.0
   38    40    44    47   0.20000  1.0 3.0
   38    40    44    56   0.56750  1.0 1.0
   38    40    44    56  -0.07550 -1.0 2.0
   38    40    44    56   0.20000  1.0 3.0
   38    40    46    67   0.56750  1.0 1.0
   38    40    46    67  -0.07550 -1.0 2.0
   38    40    46    67   0.20000  1.0 3.0
   38    40   -46    50   0.56750  1.0 1.0
   38    40   -46    50  -0.07550 -1.0 2.0
   38    40   -46    50   0.20000  1.0 3.0
   38    40    46    52   0.56750  1.0 1.0
   38    40    46    52  -0.07550 -1.0 2.0
   38    40    46    52   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    60   0.56750  1.0 1.0
   40    44    47    60  -0.07550 -1.0 2.0
   40    44    47    60   0.20000  1.0 3.0
   40    44    56    57   0.15000  1.0 3.0
   40    44    56    58   0.15000  1.0 3.0
   40    44    56    59   0.15000  1.0 3.0
   40    46   -50    33   0.56750  1.0 1.0
   40    46   -50    33  -0.07550 -1.0 2.0
   40    46   -50    33   0.20000  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    62   0.86500  1.0 1.0
   40    46    50    62  -0.17500 -1.0 2.0
   40    46    50    62   0.20800  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    56   0.15000  1.0 3.0
   41    40    46    67   0.15000  1.0 3.0
   41    40    46    50   0.15000  1.0 3.0
   41    40    46    52   0.15000  1.0 3.0
   44    40    46    67   0.56750  1.0 1.0
   44    40    46    67  -0.07550 -1.0 2.0
   44    40    46    67   0.20000  1.0 3.0
   44    40    46    50   0.56750  1.0 1.0
   44    40    46    50  -0.07550 -1.0 2.0
   44    40    46    50   0.20000  1.0 3.0
   44    40    46    52   0.56750  1.0 1.0
   44    40    46    52  -0.07550 -1.0 2.0
   44    40    46    52   0.20000  1.0 3.0
   44    47    60    61   0.15000  1.0 3.0
   44    47    60    64   0.56750  1.0 1.0
   44    47    60    64  -0.07550 -1.0 2.0
   44    47    60    64   0.20000  1.0 3.0
   44    47    60    76   0.62750  1.0 1.0
   44    47    60    76  -0.30950 -1.0 2.0
   44    47    60    76   0.27300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    60   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.15000  1.0 3.0
   45    44    56    59   0.15000  1.0 3.0
   47    44    56    57   0.15000  1.0 3.0
   47    44    56    58   0.15000  1.0 3.0
   47    44    56    59   0.15000  1.0 3.0
   47    60    64    65   0.15000  1.0 3.0
   47    60    64    66   0.34400  1.0 1.0
   47    60    64    66   0.09450 -1.0 2.0
   47    60    64    66   0.11100  1.0 3.0
   47    60    64    67   0.56750  1.0 1.0
   47    60    64    67  -0.07550 -1.0 2.0
   47    60    64    67   0.20000  1.0 3.0
   47    60    76    69  -0.25900  1.0 1.0
   47    60    76    69  -0.47000 -1.0 2.0
   47    60    76    69   0.11750  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    64   0.15000  1.0 3.0
   48    47    60    76   0.23400  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    64   0.15000  1.0 3.0
   49    47    60    76   0.23400  1.0 3.0
   60    64   -66    69   0.09700  1.0 1.0
   60    64   -66    69   0.15600 -1.0 2.0
   60    64   -66    69  -0.50800  1.0 3.0
   60    64    66    71   0.09850  1.0 1.0
   60    64    66    71   0.15250 -1.0 2.0
   60    64    66    71  -0.50650  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    46   0.56750  1.0 1.0
   60    64    67    46  -0.07550 -1.0 2.0
   60    64    67    46   0.20000  1.0 3.0
   60    64    67    74   0.86500  1.0 1.0
   60    64    67    74  -0.17500 -1.0 2.0
   60    64    67    74   0.20800  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    76    69   0.08050  1.0 3.0
   64    60   -76    69  -0.25900  1.0 1.0
   64    60   -76    69  -0.47000 -1.0 2.0
   64    60   -76    69   0.11750  1.0 3.0
   64    66    69    70  -0.64400  1.0 1.0
   64    66    69    70   0.26850 -1.0 2.0
   64    66   -69    76  -0.15000  1.0 1.0
   64    66   -69    76   0.89550 -1.0 2.0
   64    66   -69    76  -0.06900  1.0 3.0
   64    66    71    72   7.00000 -1.0 2.0
   64    66    71    73   7.00000 -1.0 2.0
   64    67    46    40   0.56750  1.0 1.0
   64    67    46    40  -0.07550 -1.0 2.0
   64    67    46    40   0.20000  1.0 3.0
   64    67    46    50   0.56750  1.0 1.0
   64    67    46    50  -0.07550 -1.0 2.0
   64    67    46    50   0.20000  1.0 3.0
   64    67    46    52   0.56750  1.0 1.0
   64    67    46    52  -0.07550 -1.0 2.0
   64    67    46    52   0.20000  1.0 3.0
   64    67    74    75  -0.11600  1.0 1.0
   64    67    74    75  -0.09450 -1.0 2.0
   64    67    74    75   0.21250  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    66    71   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    46   0.15000  1.0 3.0
   65    64    67    74   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    46   0.34400  1.0 1.0
   66    64    67    46   0.09450 -1.0 2.0
   66    64    67    46   0.11100  1.0 3.0
   66    64    67    74   1.05650  1.0 1.0
   66    64    67    74   0.15600 -1.0 2.0
   66    64    67    74   0.53150  1.0 3.0
   66    69   -76    60   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   70    69    76    60   3.00000 -1.0 2.0
   76    60    64    65   0.23400  1.0 3.0
   76    60   -64    66   0.61850  1.0 1.0
   76    60   -64    66  -0.22750 -1.0 2.0
   76    60   -64    66   0.15300  1.0 3.0
   76    60    64    67   0.62750  1.0 1.0
   76    60    64    67  -0.30950 -1.0 2.0
   76    60    64    67   0.27300  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    76  -0.56150  1.0 1.0
   71    66    69    76   2.19150 -1.0 2.0
   67    64    66    69   0.09700  1.0 1.0
   67    64    66    69   0.15600 -1.0 2.0
   67    64    66    69  -0.50800  1.0 3.0
   67    64    66    71   0.09850  1.0 1.0
   67    64    66    71   0.15250 -1.0 2.0
   67    64    66    71  -0.50650  1.0 3.0
   67    46    50    33   0.56750  1.0 1.0
   67    46    50    33  -0.07550 -1.0 2.0
   67    46    50    33   0.20000  1.0 3.0
   67    46    50    51   0.15000  1.0 3.0
   67    46    50    62   0.86500  1.0 1.0
   67    46    50    62  -0.17500 -1.0 2.0
   67    46    50    62   0.20800  1.0 3.0
   67    46    52    53   0.15000  1.0 3.0
   67    46    52    54   0.15000  1.0 3.0
   67    46    52    55   0.15000  1.0 3.0
   68    67    46    40   0.15000  1.0 3.0
   68    67    46    50   0.15000  1.0 3.0
   68    67    46    52   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    47   0.56750  1.0 1.0
   46    40    44    47  -0.07550 -1.0 2.0
   46    40    44    47   0.20000  1.0 3.0
   46    40    44    56   0.56750  1.0 1.0
   46    40    44    56  -0.07550 -1.0 2.0
   46    40    44    56   0.20000  1.0 3.0
   46    67    74    75  -0.11600  1.0 1.0
   46    67    74    75  -0.09450 -1.0 2.0
   46    67    74    75   0.21250  1.0 3.0
   46    50    62    63  -0.11600  1.0 1.0
   46    50    62    63  -0.09450 -1.0 2.0
   46    50    62    63   0.21250  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   51    50    62    63   0.19450  1.0 3.0
   52    46    50    33   0.56750  1.0 1.0
   52    46    50    33  -0.07550 -1.0 2.0
   52    46    50    33   0.20000  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    62   0.86500  1.0 1.0
   52    46    50    62  -0.17500 -1.0 2.0
   52    46    50    62   0.20800  1.0 3.0
   74    67    46    40   0.86500  1.0 1.0
   74    67    46    40  -0.17500 -1.0 2.0
   74    67    46    40   0.20800  1.0 3.0
   74    67    46    50   0.86500  1.0 1.0
   74    67    46    50  -0.17500 -1.0 2.0
   74    67    46    50   0.20800  1.0 3.0
   74    67    46    52   0.86500  1.0 1.0
   74    67    46    52  -0.17500 -1.0 2.0
   74    67    46    52   0.20800  1.0 3.0
   56    44    47    48   0.15000  1.0 3.0
   56    44    47    49   0.15000  1.0 3.0
   56    44    47    60   0.56750  1.0 1.0
   56    44    47    60  -0.07550 -1.0 2.0
   56    44    47    60   0.20000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   0.86500  1.0 1.0
   42    38    40    46  -0.17500 -1.0 2.0
   42    38    40    46   0.20800  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
   64    69    66    71   1.10000 -1.0 2.0
   66    76    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
END
