* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    235     445
    1     0 S   NP   _N1_     1    29.42797    91.34733   -19.18170
    2     1 S   H    _HN1     2     1.02959   112.05944    42.23464
    3     1 S   H    _H1_     3     1.02837    20.08079   121.31045
    4     1 S   H    _H2_     4     1.02777    88.02641   -66.77933
    5     1 S   CT   _CA1     5     1.50137   123.11035   177.74345
    6     5 S   HC   _HA1     6     1.09578   105.21918    41.19704
    7     5 S   CO3  _C1_     7     1.53818   112.44004   -78.85876
    8     7 S   O2Z  _O11     8     1.26337   115.04452   -41.91534
    9     7 S   O2Z  _O12     9     1.26242   114.92790   137.30094
   10     5 S   CT   _CB1    10     1.53088   107.38085   158.98353
   11    10 S   HC   HB11    11     1.09808   109.29853   -51.54104
   12    10 S   HC   HB12    12     1.09719   110.39978    64.99633
   13    10 S   CT   _CG1    13     1.52918   112.80924  -172.91163
   14    13 S   HC   HG11    14     1.09586   110.16156   -62.49395
   15    13 S   HC   HG12    15     1.09627   110.22325    56.64856
   16    13 S   C    _CD1    16     1.51843   112.26105   176.81328
   17    16 S   O    _OE1    17     1.22709   123.22366   -13.65507
   18    16 S   N    _N2_    18     1.38527   111.56939   167.19705
   19    18 S   H    _HN2    19     1.01608   118.81641     0.32746
   20    18 S   CT1  _CA2    20     1.46292   123.81043  -178.13617
   21    20 S   HC   _HA2    21     1.09734   109.28989   -21.73085
   22    20 S   C    _C2_    22     1.53446   107.91888  -137.30410
   23    22 S   O    _O2_    23     1.22988   122.41122  -144.96558
   24    20 S   CT   _CB2    32     1.53503   111.02419   100.77883
   25    24 S   HC   HB21    33     1.09531   109.38464    48.38259
   26    24 S   HC   HB22    34     1.09472   111.13948   167.19264
   27    22 S   N    _N3_    24     1.38564   113.20987    42.42256
   28    27 S   H    _HN3    25     1.01539   118.91400    -0.47437
   29    24 S   S    _SG2    35     1.82884   111.61459   -73.91895
   30    27 S   CT   _CA3    26     1.45451   123.41936   175.07932
   31    30 S   HC   HA31    27     1.09524   109.19126    25.01331
   32    30 S   HC   HA32    28     1.09493   107.12272   142.02402
   33    29 S   CT   _C14    36     1.84877   100.36820   149.23425
   34    33 S   HC   _H9_    37     1.09768   106.12841    11.18636
   35    30 S   CO3  _C3_    29     1.52937   113.19339   -98.42613
   36    35 S   O2Z  _O31    30     1.26396   115.45376   -42.82604
   37    35 S   O2Z  _O32    31     1.26361   114.94709   138.11938
   38    33 S   CT   _C13    38     1.54181   112.33768   125.09821
   39    38 S   HC   _H8_    39     1.10090   107.42883  -177.30652
   40    33 S   CT   _C5_    55     1.55565   113.24786  -106.23938
   41    40 S   HC   _H3_    56     1.09872   107.74936  -166.16886
   42    38 S   CT   _C12    40     1.53621   117.41657    61.31326
   43    42 S   HC   _H7_    41     1.09737   111.41279   -62.93561
   44    40 S   CT   _C4_    57     1.54335   109.24340    79.71054
   45    44 S   HC   _H10    58     1.09404   111.63589   -71.31976
   46    44 S   HC   _H11    59     1.09454   111.29766   168.01345
   47    44 S   HC   _H12    60     1.09537   111.07025    49.50214
   48    38 S   CO4  _C15    74     1.52596   108.52970   -64.72275
   49    48 S   O    _O33    75     1.22763   123.04808   -94.46447
   50    48 S   HC   _H17    76     1.10404   116.29135    82.57955
   51    42 S   CT   _C11    42     1.54002   114.29330    62.31565
   52    51 S   HC   _H6_    43     1.09653   110.18075    48.75036
   53    42 S   CO4  _C16    71     1.52646   107.33595  -178.39599
   54    53 S   O    _O34    72     1.22739   123.18751   110.91579
   55    53 S   HC   _H18    73     1.10455   115.96678   -67.43117
   56    51 S   CT   _C10    44     1.53919   115.70251   -77.02652
   57    56 S   HC   _H5_    45     1.09995   107.29619   -53.26846
   58    51 S   OH   _O35    69     1.44068   107.46732   163.93877
   59    58 S   HO   _H19    70     0.97321   107.89333    63.67844
   60    56 S   CT   _C9_    46     1.55372   110.12112  -168.72872
   61    60 S   HC   _H15    47     1.09830   109.87233   -30.32534
   62    60 S   HC   _H16    48     1.09615   111.40591    88.25328
   63    60 S   CT   _C8_    49     1.52889   106.39216  -149.00899
   64    63 S   CT   _C7_    50     1.53150   100.99766    36.98090
   65    64 S   HC   _H13    51     1.09533   111.64782  -163.08939
   66    64 S   HC   _H14    52     1.09786   110.53274    76.94748
   67    63 S   CT   _C17    61     1.53647   111.25762   -82.54440
   68    67 S   HC   _H20    62     1.09603   110.76165   -65.12526
   69    67 S   HC   _H21    63     1.09491   110.85107   175.55054
   70    67 S   HC   _H22    64     1.09422   112.66804    54.83586
   71    63 S   CT   _C18    65     1.53106   111.72534   155.40590
   72    71 S   HC   _H23    66     1.09562   111.04341    63.34905
   73    71 S   HC   _H24    67     1.09574   111.53755   -56.59452
   74    71 S   HC   _H25    68     1.09569   110.97507  -176.48219
   75    56 S   CT   _C6_    53     1.54994   119.61364    69.19593
   76    75 S   HC   _H4_    54     1.09853   106.76992  -131.64290
  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
  20   8   2   1   1  17   8  17   8  15   8   7   3   2   1   4
   1   1  15   7   4   1   1  14   8   3   1  16   6   5  13  12
   5   4   8   3   2   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    56    64    75    76    40    41    44    45    46    47    53    48    49    50  
   38    39    42    75    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    51    52    56    75    40    41    44    58    53    54    55    48    49    50  
   42    43    51    40    53    48    49    50  
   41    44    45    46    47    48    42    51    56    57    60    63    64    65    66    75    76  
   44    45    46    47    56    64    75    76  
   43    51    52    56    57    60    75    58    59    53    54    55    48    49    50  
   51    52    56    58    53    54    55    48  
   45    46    47    56    64    75    76  
   46    47    75  
   47    75  
   75  
   49    50    51    53  
   50  
    0  
   52    56    57    60    61    62    63    64    75    76    58    59    53    54    55  
   56    57    60    75    58    59    53  
   54    55    56    58  
   55  
    0  
   57    60    61    62    63    64    65    66    75    76    67    71    58    59  
   60    61    62    63    64    75    76    58  
   59    60    75  
    0  
   61    62    63    64    65    66    75    76    67    68    69    70    71    72    73    74  
   62    63    64    75    67    71  
   63    64    75    67    71  
   64    65    66    75    76    67    68    69    70    71    72    73    74  
   65    66    75    76    67    68    69    70    71    72    73    74  
   66    75    76    67    71  
   75    76    67    71  
   68    69    70    71    72    73    74    75  
   69    70    71  
   70    71  
   71  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    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   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    48   317.000  1.522
   42    43   340.000  1.090
   42    51   268.000  1.529
   42    53   317.000  1.522
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    75   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   63    71   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    75   268.000  1.529
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   553.000  0.945
   53    54   570.000  1.229
   53    55   340.000  1.090
   48    49   570.000  1.229
   48    50   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    48    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    51    58.35000  112.70000
   38    42    53    63.00000  111.10000
   38    48    49    80.00000  120.40000
   38    48    50    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    56    58.35000  112.70000
   42    51    58    50.00000  109.50000
   42    53    54    80.00000  120.40000
   42    53    55    35.00000  115.00000
   51    42    43    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    75    58.35000  112.70000
   51    58    59    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    58.35000  112.70000
   56    75    64    58.35000  112.70000
   56    75    76    37.50000  110.70000
   56    75    40    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    67    58.35000  112.70000
   60    63    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    75    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    74    37.50000  110.70000
   64    75    76    37.50000  110.70000
   64    75    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   75    56    57    37.50000  110.70000
   75    56    60    58.35000  112.70000
   75    64    65    37.50000  110.70000
   75    64    66    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    63    64    58.35000  112.70000
   71    63    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    56    50.00000  109.50000
   53    42    43    35.00000  109.50000
   53    42    51    63.00000  111.10000
   55    53    54    35.00000  123.00000
   48    38    39    35.00000  109.50000
   48    38    42    63.00000  111.10000
   50    48    49    35.00000  123.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    38    42    53  -0.95700  1.0 1.0
   33    38    42    53  -0.18200 -1.0 2.0
   33    38    42    53   0.29450  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    50   0.74550  1.0 1.0
   33    38    48    50  -0.00500 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    48  -0.11250  1.0 3.0
   34    33    40    75   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    56   0.56750  1.0 1.0
   38    42    51    56  -0.07550 -1.0 2.0
   38    42    51    56   0.20000  1.0 3.0
   38    42    51    58   0.86500  1.0 1.0
   38    42    51    58  -0.17500 -1.0 2.0
   38    42    51    58   0.20800  1.0 3.0
   38    42    53    54   0.30150 -1.0 2.0
   38    42    53    55   0.74550  1.0 1.0
   38    42    53    55  -0.00500 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38    42    53  -0.11250  1.0 3.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    50   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    50   0.74550  1.0 1.0
   42    38    48    50  -0.00500 -1.0 2.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    60   0.56750  1.0 1.0
   42    51    56    60  -0.07550 -1.0 2.0
   42    51    56    60   0.20000  1.0 3.0
   42    51    56    75   0.56750  1.0 1.0
   42    51    56    75  -0.07550 -1.0 2.0
   42    51    56    75   0.20000  1.0 3.0
   42    51    58    59  -0.11600  1.0 1.0
   42    51    58    59  -0.09450 -1.0 2.0
   42    51    58    59   0.21250  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   43    42    51    58   0.23400  1.0 3.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    55   0.00000  1.0 1.0
   51    42    53    54   0.30150 -1.0 2.0
   51    42    53    55   0.74550  1.0 1.0
   51    42    53    55  -0.00500 -1.0 2.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    63   0.56750  1.0 1.0
   51    56    60    63  -0.07550 -1.0 2.0
   51    56    60    63   0.20000  1.0 3.0
   51    56    75    64   0.56750  1.0 1.0
   51    56    75    64  -0.07550 -1.0 2.0
   51    56    75    64   0.20000  1.0 3.0
   51    56    75    76   0.15000  1.0 3.0
   51    56    75    40   0.56750  1.0 1.0
   51    56    75    40  -0.07550 -1.0 2.0
   51    56    75    40   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    56    75   0.15000  1.0 3.0
   52    51    58    59   0.19450  1.0 3.0
   56    51    58    59  -0.11600  1.0 1.0
   56    51    58    59  -0.09450 -1.0 2.0
   56    51    58    59   0.21250  1.0 3.0
   56    60   -63    64   0.56750  1.0 1.0
   56    60   -63    64  -0.07550 -1.0 2.0
   56    60   -63    64   0.20000  1.0 3.0
   56    60    63    67   0.56750  1.0 1.0
   56    60    63    67  -0.07550 -1.0 2.0
   56    60    63    67   0.20000  1.0 3.0
   56    60    63    71   0.56750  1.0 1.0
   56    60    63    71  -0.07550 -1.0 2.0
   56    60    63    71   0.20000  1.0 3.0
   56    75    40    33   0.56750  1.0 1.0
   56    75    40    33  -0.07550 -1.0 2.0
   56    75    40    33   0.20000  1.0 3.0
   56    75    40    41   0.15000  1.0 3.0
   56    75    40    44   0.56750  1.0 1.0
   56    75    40    44  -0.07550 -1.0 2.0
   56    75    40    44   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    75    64   0.15000  1.0 3.0
   57    56    75    76   0.15000  1.0 3.0
   57    56    75    40   0.15000  1.0 3.0
   60    56   -75    64   0.56750  1.0 1.0
   60    56   -75    64  -0.07550 -1.0 2.0
   60    56   -75    64   0.20000  1.0 3.0
   60    56    75    76   0.15000  1.0 3.0
   60    56    75    40   0.56750  1.0 1.0
   60    56    75    40  -0.07550 -1.0 2.0
   60    56    75    40   0.20000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    66   0.15000  1.0 3.0
   60    63   -64    75   0.56750  1.0 1.0
   60    63   -64    75  -0.07550 -1.0 2.0
   60    63   -64    75   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    69   0.15000  1.0 3.0
   60    63    67    70   0.15000  1.0 3.0
   60    63    71    72   0.15000  1.0 3.0
   60    63    71    73   0.15000  1.0 3.0
   60    63    71    74   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   61    60    63    71   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   62    60    63    71   0.15000  1.0 3.0
   63    64   -75    56   0.56750  1.0 1.0
   63    64   -75    56  -0.07550 -1.0 2.0
   63    64   -75    56   0.20000  1.0 3.0
   63    64    75    76   0.15000  1.0 3.0
   63    64    75    40   0.56750  1.0 1.0
   63    64    75    40  -0.07550 -1.0 2.0
   63    64    75    40   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    74   0.15000  1.0 3.0
   64    75    40    33   0.56750  1.0 1.0
   64    75    40    33  -0.07550 -1.0 2.0
   64    75    40    33   0.20000  1.0 3.0
   64    75    40    41   0.15000  1.0 3.0
   64    75    40    44   0.56750  1.0 1.0
   64    75    40    44  -0.07550 -1.0 2.0
   64    75    40    44   0.20000  1.0 3.0
   65    64    75    56   0.15000  1.0 3.0
   65    64    75    76   0.15000  1.0 3.0
   65    64    75    40   0.15000  1.0 3.0
   66    64    75    56   0.15000  1.0 3.0
   66    64    75    76   0.15000  1.0 3.0
   66    64    75    40   0.15000  1.0 3.0
   75    56    60    61   0.15000  1.0 3.0
   75    56    60    62   0.15000  1.0 3.0
   75    56   -60    63   0.56750  1.0 1.0
   75    56   -60    63  -0.07550 -1.0 2.0
   75    56   -60    63   0.20000  1.0 3.0
   75    40    44    45   0.15000  1.0 3.0
   75    40    44    46   0.15000  1.0 3.0
   75    40    44    47   0.15000  1.0 3.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    75   0.56750  1.0 1.0
   67    63    64    75  -0.07550 -1.0 2.0
   67    63    64    75   0.20000  1.0 3.0
   67    63    71    72   0.15000  1.0 3.0
   67    63    71    73   0.15000  1.0 3.0
   67    63    71    74   0.15000  1.0 3.0
   71    63    64    65   0.15000  1.0 3.0
   71    63    64    66   0.15000  1.0 3.0
   71    63    64    75   0.56750  1.0 1.0
   71    63    64    75  -0.07550 -1.0 2.0
   71    63    64    75   0.20000  1.0 3.0
   71    63    67    68   0.15000  1.0 3.0
   71    63    67    69   0.15000  1.0 3.0
   71    63    67    70   0.15000  1.0 3.0
   58    51    56    57   0.23400  1.0 3.0
   58    51    56    60   0.86500  1.0 1.0
   58    51    56    60  -0.17500 -1.0 2.0
   58    51    56    60   0.20800  1.0 3.0
   58    51    56    75   0.86500  1.0 1.0
   58    51    56    75  -0.17500 -1.0 2.0
   58    51    56    75   0.20800  1.0 3.0
   53    42    51    52  -0.11250  1.0 3.0
   53    42    51    56  -0.95700  1.0 1.0
   53    42    51    56  -0.18200 -1.0 2.0
   53    42    51    56   0.29450  1.0 3.0
   53    42    51    58  -0.09450  1.0 1.0
   53    42    51    58  -1.12950 -1.0 2.0
   53    42    51    58   0.54000  1.0 3.0
   48    38    42    43  -0.11250  1.0 3.0
   48    38    42    51  -0.95700  1.0 1.0
   48    38    42    51  -0.18200 -1.0 2.0
   48    38    42    51   0.29450  1.0 3.0
   48    38    42    53   0.11950  1.0 1.0
   48    38    42    53   0.20300 -1.0 2.0
   48    38    42    53  -0.70800  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
   42    55    53    54  10.50000 -1.0 2.0
   38    50    48    49  10.50000 -1.0 2.0
END
