* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    150    253     452
    1     0 S   NP   _N1_     1    28.99827    95.85138   -19.44508
    2     1 S   H    _HN1     2     1.02794    77.46440   -93.42380
    3     1 S   H    _H1_     3     1.02948    86.85442    16.08039
    4     1 S   H    _H2_     4     1.02851    44.57991   134.40827
    5     1 S   CT   _CA1     5     1.50050   154.59168   150.86324
    6     5 S   HC   _HA1     6     1.09548   105.38063    47.13241
    7     5 S   CO3  _C1_     7     1.53892   112.35670   -73.64753
    8     7 S   O2Z  _O11     8     1.26408   115.03714   -44.89895
    9     7 S   O2Z  _O12     9     1.26217   115.08318   134.79443
   10     5 S   CT   _CB1    10     1.53143   107.55946   165.57100
   11    10 S   HC   HB11    11     1.09815   109.96612   -46.58435
   12    10 S   HC   HB12    12     1.09829   110.14342    70.12036
   13    10 S   CT   _CG1    13     1.53027   112.43047  -167.47037
   14    13 S   HC   HG11    14     1.09496   110.57850   -53.82878
   15    13 S   HC   HG12    15     1.09624   110.01759    65.25799
   16    13 S   C    _CD1    16     1.51727   112.25488  -173.99452
   17    16 S   O    _OE1    17     1.22712   123.22926    -5.66811
   18    16 S   N    _N2_    18     1.38613   111.63317   173.84550
   19    18 S   H    _HN2    19     1.01591   119.11003     3.28468
   20    18 S   CT1  _CA2    20     1.46242   123.29997  -176.06145
   21    20 S   HC   _HA2    21     1.09725   109.39624   -11.90885
   22    20 S   C    _C2_    22     1.53349   108.55063  -127.83075
   23    22 S   O    _O2_    23     1.23010   122.18661  -145.90911
   24    20 S   CT   _CB2    32     1.53457   111.13179   109.94203
   25    24 S   HC   HB21    33     1.09570   109.61862    57.82557
   26    24 S   HC   HB22    34     1.09512   110.66748   176.17321
   27    22 S   N    _N3_    24     1.38490   113.37840    41.43308
   28    27 S   H    _HN3    25     1.01525   118.93911    -0.50513
   29    24 S   S    _SG2    35     1.83060   111.61612   -64.38281
   30    27 S   CT   _CA3    26     1.45458   123.45433   175.12070
   31    30 S   HC   HA31    27     1.09521   109.26459    23.83618
   32    30 S   HC   HA32    28     1.09495   107.11348   140.84832
   33    29 S   CT   _C17    36     1.83622    99.99881   138.15161
   34    33 S   HC   _H5_    37     1.09537   107.80730   -44.18933
   35    30 S   CO3  _C3_    29     1.52925   113.10118   -99.65853
   36    35 S   O2Z  _O31    30     1.26403   115.39896   -44.40394
   37    35 S   O2Z  _O32    31     1.26354   114.98509   136.52792
   38    33 S   CT   _C16    38     1.52982   109.00609    75.15457
   39    38 S   HC   _H17    39     1.09644   112.15569    63.00635
   40    38 S   HC   _H18    40     1.09618   111.06717   -57.89857
   41    38 S   CO4  _C15    41     1.51024   110.02915  -176.95888
   42    41 S   O    _O34    42     1.23131   120.80854   130.36150
   43    41 S   CT   _C14    43     1.52892   117.06520   -53.27052
   44    43 S   HC   _H4_    44     1.09620   107.20545   -88.50252
   45    43 S   CT   _C7_    45     1.53878   113.74499    35.60240
   46    43 S   OS   _O33    54     1.46030   107.80843   154.68563
   47    45 S   CR3  _C8_    46     1.48828    96.80765    88.87173
   48    45 S   CT   _C6_    69     1.54619   111.78049  -157.00527
   49    48 S   HC   _H13    70     1.09831   108.73231    68.81722
   50    48 S   HC   _H14    71     1.09783   111.33449   -47.64854
   51    47 S   CA   _C9_    47     1.38155   126.29730  -156.48618
   52    51 S   CA   _C10    48     1.39590   116.94976  -178.17930
   53    52 S   HA   _H15    49     1.08745   120.26358  -179.89165
   54    51 S   CT   _C20    57     1.50435   118.87017     5.96279
   55    54 S   HC   _H19    58     1.09742   106.57526   112.68773
   56    54 S   HC   _H20    59     1.09290   109.40541  -132.15446
   57    52 S   CA   _C11    50     1.41113   120.36266    -0.82969
   58    57 S   HA   _H16    51     1.08715   118.83882   179.98022
   59    54 S   CT   _C19    60     1.55852   114.70632    -5.80536
   60    59 S   HC   _H7_    61     1.09513   109.12341   158.25624
   61    57 S   CA   _C12    52     1.40092   120.69051    -1.72033
   62    33 S   CT   _C18    62     1.54799   110.39526  -163.93697
   63    62 S   HC   _H6_    63     1.10131   106.77311   -57.40395
   64    59 S   NP   _N4_    64     1.54075   111.83654   -86.95601
   65    64 S   H    _H3_    65     1.02918   104.98436  -179.36204
   66    47 S   CA   _C13    53     1.38007   110.40756    21.39853
   67    61 S   OH   _O35    55     1.36066   121.66415  -177.74250
   68    67 S   HO   _H21    56     0.97225   108.62033    -0.39958
   69    64 S   CT   _C5_    66     1.50812   115.05629    64.91861
   70    69 S   HC   _H11    67     1.09463   107.99134   -72.47815
   71    69 S   HC   _H12    68     1.09557   107.24898   170.91061
   72    64 S   CT   _C4_    72     1.50725   113.83138   -66.04476
   73    72 S   HC   _H8_    73     1.09164   109.22560    74.70388
   74    72 S   HC   _H9_    74     1.09352   107.60077  -165.62470
   75    72 S   HC   _H10    75     1.09262   108.30497   -47.04684
  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
  16   8   2   1   1  11   5   4   9   4  14   6  18   8  17  13
   6   5  13  10   4  12   5   4   5   3  12   6   3   6   1   8
   7   2   1   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    62    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    62    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    54    59    60    62    63    64    48  
   38    39    40    41    45    59    62    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    59    62    63  
   40    41    42    43    62  
   41    42    43    62  
   42    43    44    45    47    66    46    62    48  
   43    44    45    46  
   44    45    47    51    61    66    46    59    62    63    69    48    49    50  
   45    47    66    46    62    48  
   47    51    52    61    66    46    54    59    60    62    63    64    69    70    71    48    49    50  
   67    62    48    47    51    57    61    66  
   51    52    53    57    61    66    67    54    55    56    59    62    63    69    48    49    50  
   49    50    72    51    59    62    63    64    65    66    69    70    71  
   50    62    64    69    70    71  
   62    64    69    70    71  
   52    53    57    58    61    66    54    55    56    59    60    62    64  
   53    57    58    61    66    67    54    55    56    59  
   57    58    61    54  
   55    56    59    60    62    63    64    65    69    72    57    66  
   56    59    60    62    64  
   59    60    62    64  
   58    61    66    67    68  
   61    66    67  
   60    62    63    64    65    69    70    71    72    73    74    75  
   62    63    64    65    69    72  
   66    67    68  
   63    64    65    69    72    66  
   64  
   65    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   1.6450   1.4500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   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    62   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    46   320.000  1.410
   45    47   317.000  1.510
   45    62   268.000  1.529
   45    48   268.000  1.529
   47    51   490.000  1.398
   47    66   490.000  1.398
   51    52   469.000  1.400
   51    54   317.000  1.510
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    66   469.000  1.400
   61    67   450.000  1.364
   66    46   450.000  1.364
   67    68   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   367.000  1.471
   62    63   340.000  1.090
   64    65   434.000  1.010
   64    69   367.000  1.471
   64    72   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    62    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    62    45    58.35000  112.70000
   33    62    59    58.35000  112.70000
   33    62    63    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    46    90.00000  108.74100
   43    41    42    80.00000  120.40000
   43    45    47    70.00000  112.17500
   43    45    62    58.35000  112.70000
   43    45    48    58.35000  112.70000
   43    46    66    75.00000  111.00000
   45    43    44    37.50000  110.70000
   45    47    51    70.00000  120.00000
   45    47    66    70.00000  120.00000
   45    62    59    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    48    69    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   47    51    52    70.00000  112.88000
   47    51    54    80.00000  105.07000
   47    66    61    70.00000  112.88000
   47    66    46    70.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    57    63.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    70.00000  112.17500
   52    57    58    35.00000  120.00000
   52    57    61    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    61    66    63.00000  120.00000
   57    61    67    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    66    46    70.00000  120.00000
   61    67    68    35.00000  113.00000
   66    47    51    60.00000  130.80000
   46    43    44    35.00000  109.50000
   46    43    45    50.00000  109.50000
   67    61    66    70.00000  120.00000
   54    51    52    70.00000  120.00000
   54    59    60    37.50000  110.70000
   54    59    62    58.35000  112.70000
   54    59    64    80.00000  111.20000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    64    65    35.00000  109.50000
   59    64    69    75.00000  113.01200
   59    64    72    75.00000  113.01200
   62    33    34    37.50000  110.70000
   62    33    38    58.35000  112.70000
   62    45    47    70.00000  112.17500
   62    59    60    37.50000  110.70000
   64    59    60    35.00000  109.50000
   64    59    62    80.00000  111.20000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    48    80.00000  111.20000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   69    64    65    35.00000  109.50000
   69    48    49    37.50000  110.70000
   69    48    50    37.50000  110.70000
   71    69    70    33.00000  107.80000
   48    45    47    70.00000  112.17500
   48    45    62    58.35000  112.70000
   48    69    70    37.50000  110.70000
   48    69    71    37.50000  110.70000
   50    48    49    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    69    75.00000  113.01200
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    62    45   0.44750  1.0 1.0
   29    33    62    45  -0.17800 -1.0 2.0
   29    33    62    45   0.20200  1.0 3.0
   29    33    62    59   0.44750  1.0 1.0
   29    33    62    59  -0.17800 -1.0 2.0
   29    33    62    59   0.20200  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  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    41  -0.11250  1.0 3.0
   34    33    62    45   0.15000  1.0 3.0
   34    33    62    59   0.15000  1.0 3.0
   34    33    62    63   0.15000  1.0 3.0
   38    33    62    45   0.56750  1.0 1.0
   38    33    62    45  -0.07550 -1.0 2.0
   38    33    62    45   0.20000  1.0 3.0
   38    33    62    59   0.56750  1.0 1.0
   38    33    62    59  -0.07550 -1.0 2.0
   38    33    62    59   0.20000  1.0 3.0
   38    33    62    63   0.15000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.60050  1.0 1.0
   38    41   -43    45   0.05600 -1.0 2.0
   38    41   -43    45   0.26150  1.0 3.0
   38    41    43    46   0.55300  1.0 1.0
   38    41    43    46   1.25850 -1.0 2.0
   38    41    43    46  -0.23600  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    47   0.56750  1.0 1.0
   41    43    45    47  -0.07550 -1.0 2.0
   41    43    45    47   0.20000  1.0 3.0
   41    43    45    62  -0.95700  1.0 1.0
   41    43    45    62  -0.18200 -1.0 2.0
   41    43    45    62   0.29450  1.0 3.0
   41    43    45    48  -0.95700  1.0 1.0
   41    43    45    48  -0.18200 -1.0 2.0
   41    43    45    48   0.29450  1.0 3.0
   41    43    46    66  -0.25600  1.0 1.0
   41    43    46    66  -0.40050 -1.0 2.0
   41    43    46    66   0.34700  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   43    45    47    51   0.04150 -1.0 2.0
   43    45   -47    66   0.04150 -1.0 2.0
   43    45   -62    33   0.56750  1.0 1.0
   43    45   -62    33  -0.07550 -1.0 2.0
   43    45   -62    33   0.20000  1.0 3.0
   43    45    62    59   0.56750  1.0 1.0
   43    45    62    59  -0.07550 -1.0 2.0
   43    45    62    59   0.20000  1.0 3.0
   43    45    62    63   0.15000  1.0 3.0
   43    45    48    69   0.56750  1.0 1.0
   43    45    48    69  -0.07550 -1.0 2.0
   43    45    48    69   0.20000  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   44    43    45    47   0.43200  1.0 3.0
   44    43    45    62   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    46    66   0.08050  1.0 3.0
   45    43   -46    66  -0.32850  1.0 1.0
   45    43   -46    66  -0.35800 -1.0 2.0
   45    43   -46    66   0.33950  1.0 3.0
   45    47    51    52   3.62500 -1.0 2.0
   45    47    51    54   3.62500 -1.0 2.0
   45    47    66    61   3.62500 -1.0 2.0
   45    47   -66    46   3.62500 -1.0 2.0
   47    45    62    33  -0.03700  1.0 1.0
   47    45    62    33   0.37200 -1.0 2.0
   47    45    62    33  -0.47300  1.0 3.0
   47    45    62    59  -0.03700  1.0 1.0
   47    45    62    59   0.37200 -1.0 2.0
   47    45    62    59  -0.47300  1.0 3.0
   47    45    62    63   0.43200  1.0 3.0
   47    45    48    69  -0.03700  1.0 1.0
   47    45    48    69   0.37200 -1.0 2.0
   47    45    48    69  -0.47300  1.0 3.0
   47    45    48    49   0.43200  1.0 3.0
   47    45    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    57   3.62500 -1.0 2.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51   -54    59   0.04150 -1.0 2.0
   47    66   -46    43   1.63200 -1.0 2.0
   51    47    66    61   3.62500 -1.0 2.0
   51    47    66    46   3.62500 -1.0 2.0
   51    52    57    58   3.62500 -1.0 2.0
   51    52   -57    61   3.62500 -1.0 2.0
   51    54    59    60   0.43200  1.0 3.0
   51    54    59    62  -0.03700  1.0 1.0
   51    54    59    62   0.37200 -1.0 2.0
   51    54    59    62  -0.47300  1.0 3.0
   51    54    59    64   1.24050  1.0 1.0
   51    54    59    64   0.48100 -1.0 2.0
   51    54    59    64   1.08150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    59   0.04150 -1.0 2.0
   52    57    61    66   3.62500 -1.0 2.0
   52    57    61    67   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    61   3.62500 -1.0 2.0
   57    61   -66    47   3.62500 -1.0 2.0
   57    61    66    46   3.62500 -1.0 2.0
   57    61    67    68   0.84100 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   58    57    61    67   3.62500 -1.0 2.0
   61    66    46    43   1.63200 -1.0 2.0
   66    47   -51    52   3.62500 -1.0 2.0
   66    47    51    54   3.62500 -1.0 2.0
   66    61    67    68   0.84100 -1.0 2.0
   46    43   -45    47  -0.64350  1.0 1.0
   46    43   -45    47  -0.04200 -1.0 2.0
   46    43   -45    47   0.19800  1.0 3.0
   46    43    45    62   0.62750  1.0 1.0
   46    43    45    62  -0.30950 -1.0 2.0
   46    43    45    62   0.27300  1.0 3.0
   46    43    45    48   0.62750  1.0 1.0
   46    43    45    48  -0.30950 -1.0 2.0
   46    43    45    48   0.27300  1.0 3.0
   67    61    66    47   3.62500 -1.0 2.0
   67    61    66    46   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    57   3.62500 -1.0 2.0
   54    59    62    33   0.56750  1.0 1.0
   54    59    62    33  -0.07550 -1.0 2.0
   54    59    62    33   0.20000  1.0 3.0
   54    59   -62    45   0.56750  1.0 1.0
   54    59   -62    45  -0.07550 -1.0 2.0
   54    59   -62    45   0.20000  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    64    65   0.17350  1.0 3.0
   54    59    64    69   0.47100  1.0 1.0
   54    59    64    72   0.47100  1.0 1.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    64   0.19200  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    54    59    64   0.19200  1.0 3.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    71   0.15000  1.0 3.0
   59    64    69    48   0.47100  1.0 1.0
   59    64    72    73   0.15000  1.0 3.0
   59    64    72    74   0.15000  1.0 3.0
   59    64    72    75   0.15000  1.0 3.0
   60    59    62    33   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    64    65   0.13050  1.0 3.0
   60    59    64    69   0.15000  1.0 3.0
   60    59    64    72   0.15000  1.0 3.0
   62    33    38    39   0.15000  1.0 3.0
   62    33    38    40   0.15000  1.0 3.0
   62    33   -38    41  -0.95700  1.0 1.0
   62    33   -38    41  -0.18200 -1.0 2.0
   62    33   -38    41   0.29450  1.0 3.0
   62    45   -47    51   0.04150 -1.0 2.0
   62    45    47    66   0.04150 -1.0 2.0
   62    45    48    69   0.56750  1.0 1.0
   62    45    48    69  -0.07550 -1.0 2.0
   62    45    48    69   0.20000  1.0 3.0
   62    45    48    49   0.15000  1.0 3.0
   62    45    48    50   0.15000  1.0 3.0
   62    59    64    65   0.17350  1.0 3.0
   62    59   -64    69   0.47100  1.0 1.0
   62    59    64    72   0.47100  1.0 1.0
   64    59    62    33   1.36600  1.0 1.0
   64    59    62    33  -0.11450 -1.0 2.0
   64    59    62    33   0.24250  1.0 3.0
   64    59    62    45   1.36600  1.0 1.0
   64    59    62    45  -0.11450 -1.0 2.0
   64    59    62    45   0.24250  1.0 3.0
   64    59    62    63   0.19200  1.0 3.0
   64    69   -48    45   1.36600  1.0 1.0
   64    69   -48    45  -0.11450 -1.0 2.0
   64    69   -48    45   0.24250  1.0 3.0
   64    69    48    49   0.19200  1.0 3.0
   64    69    48    50   0.19200  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    48   0.17350  1.0 3.0
   65    64    72    73   0.13050  1.0 3.0
   65    64    72    74   0.13050  1.0 3.0
   65    64    72    75   0.13050  1.0 3.0
   69    64    72    73   0.15000  1.0 3.0
   69    64    72    74   0.15000  1.0 3.0
   69    64    72    75   0.15000  1.0 3.0
   70    69    48    45   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    48    50   0.15000  1.0 3.0
   71    69    48    45   0.15000  1.0 3.0
   71    69    48    49   0.15000  1.0 3.0
   71    69    48    50   0.15000  1.0 3.0
   48    45    47    51   0.04150 -1.0 2.0
   48    45    47    66   0.04150 -1.0 2.0
   48    45    62    33   0.56750  1.0 1.0
   48    45    62    33  -0.07550 -1.0 2.0
   48    45    62    33   0.20000  1.0 3.0
   48    45   -62    59   0.56750  1.0 1.0
   48    45   -62    59  -0.07550 -1.0 2.0
   48    45   -62    59   0.20000  1.0 3.0
   48    45    62    63   0.15000  1.0 3.0
   72    64    69    70   0.15000  1.0 3.0
   72    64    69    71   0.15000  1.0 3.0
   72    64    69    48   0.47100  1.0 1.0
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    43    41    42  10.50000 -1.0 2.0
   51    66    47    45   4.00000 -1.0 2.0
   52    54    51    47   4.00000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   66    67    61    57   4.00000 -1.0 2.0
   61    46    66    47   4.00000 -1.0 2.0
END
